1,3-bis(6,6-dimethyl-4-oxoheptyl)urea;(2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;(2R,3R)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-4-(3,3-dimethylbutanoyl)benzamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[2-[2-(6,6-dimethyl-4-oxoheptoxy)ethoxy]ethyl]urea;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(6,6-dimethyl-4-oxoheptyl)urea;N-tert-butyl-8,8-dimethyl-6-oxononanamide;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;1-tert-butyl-3-(12,12-dimethyl-10-oxotridecyl)urea;1-tert-butyl-3-(10,10-dimethyl-8-oxoundecyl)urea;(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;1-N,2-N-ditert-butylbenzene-1,2-dicarboxamide;1-(6,6-dimethyl-4-oxoheptoxy)-6,6-dimethylheptan-4-one;1-(4,4-dimethyl-2-oxopentoxy)-4,4-dimethylpentan-2-one;2,2,6,6-tetramethylheptan-4-one;2,2,12,12-tetramethyltridecane-4,10-dione

C309H578N26O52 — CID 159147170

IUPAC1,3-bis(6,6-dimethyl-4-oxoheptyl)urea;(2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;(2R,3R)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-4-(3,3-dimethylbutanoyl)benzamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[2-[2-(6,6-dimethyl-4-oxoheptoxy)ethoxy]ethyl]urea;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(6,6-dimethyl-4-oxoheptyl)urea;N-tert-butyl-8,8-dimethyl-6-oxononanamide;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;1-tert-butyl-3-(12,12-dimethyl-10-oxotridecyl)urea;1-tert-butyl-3-(10,10-dimethyl-8-oxoundecyl)urea;(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;1-N,2-N-ditert-butylbenzene-1,2-dicarboxamide;1-(6,6-dimethyl-4-oxoheptoxy)-6,6-dimethylheptan-4-one;1-(4,4-dimethyl-2-oxopentoxy)-4,4-dimethylpentan-2-one;2,2,6,6-tetramethylheptan-4-one;2,2,12,12-tetramethyltridecane-4,10-dione
SMILESCC(C)(C)CC(=O)CC(C)(C)C.CC(C)(C)CC(=O)CCC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCCC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCCCC(=O)CC(C)(C)C.CC(C)(C)CC(=O)CCCCCCCCCNC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCCCCCNC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCCCNC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCNC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCNC(=O)NCCCC(=O)CC(C)(C)C.CC(C)(C)CC(=O)CCCNC(=O)NCCCCCC(=O)CCCNC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCOCCCC(=O)CC(C)(C)C.CC(C)(C)CC(=O)CCCOCCOCCNC(=O)NC(C)(C)C.CC(C)(C)CC(=O)COCC(=O)CC(C)(C)C.CC(C)(C)CC(=O)Cc1ccc(NC(=O)NC(C)(C)C)cc1.CC(C)(C)CC(=O)[C@@H](O)[C@H](O)C(=O)NC(C)(C)C.CC(C)(C)CC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)NC(C)(C)C.CC(C)(C)CC(=O)[C@H](O)[C@@H](O)C(=O)NC(C)(C)C.CC(C)(C)CC(=O)c1ccc(C(=O)NC(C)(C)C)cc1.CC(C)(C)NC(=O)c1ccccc1C(=O)NC(C)(C)C
InChIInChI=1S/C24H46N4O4.C20H40N2O2.C19H36N2O3.C18H36N2O4.C18H28N2O2.C18H36N2O2.C18H34O3.C17H25NO2.C17H32O2.C16H24N2O2.C16H32N2O2.C15H29NO6.C15H29NO2.C14H28N2O2.C14H26O3.2C13H25NO4.C13H25NO2.C11H22O/c1-23(2,3)18-20(30)14-11-16-26-21(31)25-15-9-7-8-12-19(29)13-10-17-27-22(32)28-24(4,5)6;1-19(2,3)16-17(23)14-12-10-8-7-9-11-13-15-21-18(24)22-20(4,5)6;1-18(2,3)13-15(22)9-7-11-20-17(24)21-12-8-10-16(23)14-19(4,5)6;1-17(2,3)14-15(21)8-7-10-23-12-13-24-11-9-19-16(22)20-18(4,5)6;1-17(2,3)12-15(21)11-13-7-9-14(10-8-13)19-16(22)20-18(4,5)6;1-17(2,3)14-15(21)12-10-8-7-9-11-13-19-16(22)20-18(4,5)6;1-17(2,3)13-15(19)9-7-11-21-12-8-10-16(20)14-18(4,5)6;1-16(2,3)11-14(19)12-7-9-13(10-8-12)15(20)18-17(4,5)6;1-16(2,3)12-14(18)10-8-7-9-11-15(19)13-17(4,5)6;1-15(2,3)17-13(19)11-9-7-8-10-12(11)14(20)18-16(4,5)6;1-15(2,3)12-13(19)10-8-7-9-11-17-14(20)18-16(4,5)6;1-14(2,3)7-8(17)9(18)10(19)11(20)12(21)13(22)16-15(4,5)6;1-14(2,3)11-12(17)9-7-8-10-13(18)16-15(4,5)6;1-13(2,3)10-11(17)8-7-9-15-12(18)16-14(4,5)6;1-13(2,3)7-11(15)9-17-10-12(16)8-14(4,5)6;2*1-12(2,3)7-8(15)9(16)10(17)11(18)14-13(4,5)6;1-12(2,3)9-10(15)7-8-11(16)14-13(4,5)6;1-10(2,3)7-9(12)8-11(4,5)6/h7-18H2,1-6H3,(H2,25,26,31)(H2,27,28,32);7-16H2,1-6H3,(H2,21,22,24);7-14H2,1-6H3,(H2,20,21,24);7-14H2,1-6H3,(H2,19,20,22);7-10H,11-12H2,1-6H3,(H2,19,20,22);7-14H2,1-6H3,(H2,19,20,22);7-14H2,1-6H3;7-10H,11H2,1-6H3,(H,18,20);7-13H2,1-6H3;7-10H,1-6H3,(H,17,19)(H,18,20);7-12H2,1-6H3,(H2,17,18,20);9-12,18-21H,7H2,1-6H3,(H,16,22);7-11H2,1-6H3,(H,16,18);7-10H2,1-6H3,(H2,15,16,18);7-10H2,1-6H3;2*9-10,16-17H,7H2,1-6H3,(H,14,18);7-9H2,1-6H3,(H,14,16);7-8H2,1-6H3/t;;;;;;;;;;;9-,10+,11+,12-;;;;2*9-,10+;;/m...........1...10../s1
InChIKeyKIVFBEAXNJFBQH-AYJSFZPOSA-N
MW5490.15 g/mol
LogP60.45
Rot. Bonds127

About 1,3-bis(6,6-dimethyl-4-oxoheptyl)urea;(2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;(2R,3R)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-4-(3,3-dimethylbutanoyl)benzamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[2-[2-(6,6-dimethyl-4-oxoheptoxy)ethoxy]ethyl]urea;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(6,6-dimethyl-4-oxoheptyl)urea;N-tert-butyl-8,8-dimethyl-6-oxononanamide;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;1-tert-butyl-3-(12,12-dimethyl-10-oxotridecyl)urea;1-tert-butyl-3-(10,10-dimethyl-8-oxoundecyl)urea;(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;1-N,2-N-ditert-butylbenzene-1,2-dicarboxamide;1-(6,6-dimethyl-4-oxoheptoxy)-6,6-dimethylheptan-4-one;1-(4,4-dimethyl-2-oxopentoxy)-4,4-dimethylpentan-2-one;2,2,6,6-tetramethylheptan-4-one;2,2,12,12-tetramethyltridecane-4,10-dione

1,3-bis(6,6-dimethyl-4-oxoheptyl)urea;(2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;(2R,3R)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-4-(3,3-dimethylbutanoyl)benzamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[2-[2-(6,6-dimethyl-4-oxoheptoxy)ethoxy]ethyl]urea;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(6,6-dimethyl-4-oxoheptyl)urea;N-tert-butyl-8,8-dimethyl-6-oxononanamide;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;1-tert-butyl-3-(12,12-dimethyl-10-oxotridecyl)urea;1-tert-butyl-3-(10,10-dimethyl-8-oxoundecyl)urea;(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;1-N,2-N-ditert-butylbenzene-1,2-dicarboxamide;1-(6,6-dimethyl-4-oxoheptoxy)-6,6-dimethylheptan-4-one;1-(4,4-dimethyl-2-oxopentoxy)-4,4-dimethylpentan-2-one;2,2,6,6-tetramethylheptan-4-one;2,2,12,12-tetramethyltridecane-4,10-dione (PubChem CID 159147170) has the molecular formula C309H578N26O52 and a molecular weight of 5490.15 g/mol. Its IUPAC name is 1,3-bis(6,6-dimethyl-4-oxoheptyl)urea;(2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;(2R,3R)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-4-(3,3-dimethylbutanoyl)benzamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[2-[2-(6,6-dimethyl-4-oxoheptoxy)ethoxy]ethyl]urea;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(6,6-dimethyl-4-oxoheptyl)urea;N-tert-butyl-8,8-dimethyl-6-oxononanamide;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;1-tert-butyl-3-(12,12-dimethyl-10-oxotridecyl)urea;1-tert-butyl-3-(10,10-dimethyl-8-oxoundecyl)urea;(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;1-N,2-N-ditert-butylbenzene-1,2-dicarboxamide;1-(6,6-dimethyl-4-oxoheptoxy)-6,6-dimethylheptan-4-one;1-(4,4-dimethyl-2-oxopentoxy)-4,4-dimethylpentan-2-one;2,2,6,6-tetramethylheptan-4-one;2,2,12,12-tetramethyltridecane-4,10-dione.

Molecular Properties

Compound Name1,3-bis(6,6-dimethyl-4-oxoheptyl)urea;(2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;(2R,3R)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-4-(3,3-dimethylbutanoyl)benzamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[2-[2-(6,6-dimethyl-4-oxoheptoxy)ethoxy]ethyl]urea;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(6,6-dimethyl-4-oxoheptyl)urea;N-tert-butyl-8,8-dimethyl-6-oxononanamide;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;1-tert-butyl-3-(12,12-dimethyl-10-oxotridecyl)urea;1-tert-butyl-3-(10,10-dimethyl-8-oxoundecyl)urea;(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;1-N,2-N-ditert-butylbenzene-1,2-dicarboxamide;1-(6,6-dimethyl-4-oxoheptoxy)-6,6-dimethylheptan-4-one;1-(4,4-dimethyl-2-oxopentoxy)-4,4-dimethylpentan-2-one;2,2,6,6-tetramethylheptan-4-one;2,2,12,12-tetramethyltridecane-4,10-dione
PubChem CID159147170
Molecular FormulaC309H578N26O52
Molecular Weight5490.15 g/mol
Exact Mass5486.34
IUPAC Name1,3-bis(6,6-dimethyl-4-oxoheptyl)urea;(2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;(2R,3R)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-4-(3,3-dimethylbutanoyl)benzamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[2-[2-(6,6-dimethyl-4-oxoheptoxy)ethoxy]ethyl]urea;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(6,6-dimethyl-4-oxoheptyl)urea;N-tert-butyl-8,8-dimethyl-6-oxononanamide;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;1-tert-butyl-3-(12,12-dimethyl-10-oxotridecyl)urea;1-tert-butyl-3-(10,10-dimethyl-8-oxoundecyl)urea;(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;1-N,2-N-ditert-butylbenzene-1,2-dicarboxamide;1-(6,6-dimethyl-4-oxoheptoxy)-6,6-dimethylheptan-4-one;1-(4,4-dimethyl-2-oxopentoxy)-4,4-dimethylpentan-2-one;2,2,6,6-tetramethylheptan-4-one;2,2,12,12-tetramethyltridecane-4,10-dione
SMILESCC(C)(C)CC(=O)CC(C)(C)C.CC(C)(C)CC(=O)CCC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCCC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCCCC(=O)CC(C)(C)C.CC(C)(C)CC(=O)CCCCCCCCCNC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCCCCCNC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCCCNC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCNC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCNC(=O)NCCCC(=O)CC(C)(C)C.CC(C)(C)CC(=O)CCCNC(=O)NCCCCCC(=O)CCCNC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCOCCCC(=O)CC(C)(C)C.CC(C)(C)CC(=O)CCCOCCOCCNC(=O)NC(C)(C)C.CC(C)(C)CC(=O)COCC(=O)CC(C)(C)C.CC(C)(C)CC(=O)Cc1ccc(NC(=O)NC(C)(C)C)cc1.CC(C)(C)CC(=O)[C@@H](O)[C@H](O)C(=O)NC(C)(C)C.CC(C)(C)CC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)NC(C)(C)C.CC(C)(C)CC(=O)[C@H](O)[C@@H](O)C(=O)NC(C)(C)C.CC(C)(C)CC(=O)c1ccc(C(=O)NC(C)(C)C)cc1.CC(C)(C)NC(=O)c1ccccc1C(=O)NC(C)(C)C
InChIInChI=1S/C24H46N4O4.C20H40N2O2.C19H36N2O3.C18H36N2O4.C18H28N2O2.C18H36N2O2.C18H34O3.C17H25NO2.C17H32O2.C16H24N2O2.C16H32N2O2.C15H29NO6.C15H29NO2.C14H28N2O2.C14H26O3.2C13H25NO4.C13H25NO2.C11H22O/c1-23(2,3)18-20(30)14-11-16-26-21(31)25-15-9-7-8-12-19(29)13-10-17-27-22(32)28-24(4,5)6;1-19(2,3)16-17(23)14-12-10-8-7-9-11-13-15-21-18(24)22-20(4,5)6;1-18(2,3)13-15(22)9-7-11-20-17(24)21-12-8-10-16(23)14-19(4,5)6;1-17(2,3)14-15(21)8-7-10-23-12-13-24-11-9-19-16(22)20-18(4,5)6;1-17(2,3)12-15(21)11-13-7-9-14(10-8-13)19-16(22)20-18(4,5)6;1-17(2,3)14-15(21)12-10-8-7-9-11-13-19-16(22)20-18(4,5)6;1-17(2,3)13-15(19)9-7-11-21-12-8-10-16(20)14-18(4,5)6;1-16(2,3)11-14(19)12-7-9-13(10-8-12)15(20)18-17(4,5)6;1-16(2,3)12-14(18)10-8-7-9-11-15(19)13-17(4,5)6;1-15(2,3)17-13(19)11-9-7-8-10-12(11)14(20)18-16(4,5)6;1-15(2,3)12-13(19)10-8-7-9-11-17-14(20)18-16(4,5)6;1-14(2,3)7-8(17)9(18)10(19)11(20)12(21)13(22)16-15(4,5)6;1-14(2,3)11-12(17)9-7-8-10-13(18)16-15(4,5)6;1-13(2,3)10-11(17)8-7-9-15-12(18)16-14(4,5)6;1-13(2,3)7-11(15)9-17-10-12(16)8-14(4,5)6;2*1-12(2,3)7-8(15)9(16)10(17)11(18)14-13(4,5)6;1-12(2,3)9-10(15)7-8-11(16)14-13(4,5)6;1-10(2,3)7-9(12)8-11(4,5)6/h7-18H2,1-6H3,(H2,25,26,31)(H2,27,28,32);7-16H2,1-6H3,(H2,21,22,24);7-14H2,1-6H3,(H2,20,21,24);7-14H2,1-6H3,(H2,19,20,22);7-10H,11-12H2,1-6H3,(H2,19,20,22);7-14H2,1-6H3,(H2,19,20,22);7-14H2,1-6H3;7-10H,11H2,1-6H3,(H,18,20);7-13H2,1-6H3;7-10H,1-6H3,(H,17,19)(H,18,20);7-12H2,1-6H3,(H2,17,18,20);9-12,18-21H,7H2,1-6H3,(H,16,22);7-11H2,1-6H3,(H,16,18);7-10H2,1-6H3,(H2,15,16,18);7-10H2,1-6H3;2*9-10,16-17H,7H2,1-6H3,(H,14,18);7-9H2,1-6H3,(H,14,16);7-8H2,1-6H3/t;;;;;;;;;;;9-,10+,11+,12-;;;;2*9-,10+;;/m...........1...10../s1
InChIKeyKIVFBEAXNJFBQH-AYJSFZPOSA-N
XLogP60.45
TPSA1194.34 Ų
H-Bond Donors34
H-Bond Acceptors52
Rotatable Bonds127
Heavy Atoms387
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005490.15
LogP ≤ 560.45
H-Bond Donors ≤ 534
H-Bond Acceptors ≤ 1052

Analyze 1,3-bis(6,6-dimethyl-4-oxoheptyl)urea;(2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;(2R,3R)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-4-(3,3-dimethylbutanoyl)benzamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[2-[2-(6,6-dimethyl-4-oxoheptoxy)ethoxy]ethyl]urea;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(6,6-dimethyl-4-oxoheptyl)urea;N-tert-butyl-8,8-dimethyl-6-oxononanamide;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;1-tert-butyl-3-(12,12-dimethyl-10-oxotridecyl)urea;1-tert-butyl-3-(10,10-dimethyl-8-oxoundecyl)urea;(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;1-N,2-N-ditert-butylbenzene-1,2-dicarboxamide;1-(6,6-dimethyl-4-oxoheptoxy)-6,6-dimethylheptan-4-one;1-(4,4-dimethyl-2-oxopentoxy)-4,4-dimethylpentan-2-one;2,2,6,6-tetramethylheptan-4-one;2,2,12,12-tetramethyltridecane-4,10-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(6,6-dimethyl-4-oxoheptyl)urea;(2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;(2R,3R)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-4-(3,3-dimethylbutanoyl)benzamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[2-[2-(6,6-dimethyl-4-oxoheptoxy)ethoxy]ethyl]urea;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(6,6-dimethyl-4-oxoheptyl)urea;N-tert-butyl-8,8-dimethyl-6-oxononanamide;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;1-tert-butyl-3-(12,12-dimethyl-10-oxotridecyl)urea;1-tert-butyl-3-(10,10-dimethyl-8-oxoundecyl)urea;(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;1-N,2-N-ditert-butylbenzene-1,2-dicarboxamide;1-(6,6-dimethyl-4-oxoheptoxy)-6,6-dimethylheptan-4-one;1-(4,4-dimethyl-2-oxopentoxy)-4,4-dimethylpentan-2-one;2,2,6,6-tetramethylheptan-4-one;2,2,12,12-tetramethyltridecane-4,10-dione?
The IUPAC name of 1,3-bis(6,6-dimethyl-4-oxoheptyl)urea;(2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;(2R,3R)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-4-(3,3-dimethylbutanoyl)benzamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[2-[2-(6,6-dimethyl-4-oxoheptoxy)ethoxy]ethyl]urea;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(6,6-dimethyl-4-oxoheptyl)urea;N-tert-butyl-8,8-dimethyl-6-oxononanamide;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;1-tert-butyl-3-(12,12-dimethyl-10-oxotridecyl)urea;1-tert-butyl-3-(10,10-dimethyl-8-oxoundecyl)urea;(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;1-N,2-N-ditert-butylbenzene-1,2-dicarboxamide;1-(6,6-dimethyl-4-oxoheptoxy)-6,6-dimethylheptan-4-one;1-(4,4-dimethyl-2-oxopentoxy)-4,4-dimethylpentan-2-one;2,2,6,6-tetramethylheptan-4-one;2,2,12,12-tetramethyltridecane-4,10-dione (CID 159147170) is 1,3-bis(6,6-dimethyl-4-oxoheptyl)urea;(2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;(2R,3R)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-4-(3,3-dimethylbutanoyl)benzamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[2-[2-(6,6-dimethyl-4-oxoheptoxy)ethoxy]ethyl]urea;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(6,6-dimethyl-4-oxoheptyl)urea;N-tert-butyl-8,8-dimethyl-6-oxononanamide;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;1-tert-butyl-3-(12,12-dimethyl-10-oxotridecyl)urea;1-tert-butyl-3-(10,10-dimethyl-8-oxoundecyl)urea;(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;1-N,2-N-ditert-butylbenzene-1,2-dicarboxamide;1-(6,6-dimethyl-4-oxoheptoxy)-6,6-dimethylheptan-4-one;1-(4,4-dimethyl-2-oxopentoxy)-4,4-dimethylpentan-2-one;2,2,6,6-tetramethylheptan-4-one;2,2,12,12-tetramethyltridecane-4,10-dione.
What is the SMILES notation for 1,3-bis(6,6-dimethyl-4-oxoheptyl)urea;(2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;(2R,3R)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-4-(3,3-dimethylbutanoyl)benzamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[2-[2-(6,6-dimethyl-4-oxoheptoxy)ethoxy]ethyl]urea;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(6,6-dimethyl-4-oxoheptyl)urea;N-tert-butyl-8,8-dimethyl-6-oxononanamide;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;1-tert-butyl-3-(12,12-dimethyl-10-oxotridecyl)urea;1-tert-butyl-3-(10,10-dimethyl-8-oxoundecyl)urea;(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;1-N,2-N-ditert-butylbenzene-1,2-dicarboxamide;1-(6,6-dimethyl-4-oxoheptoxy)-6,6-dimethylheptan-4-one;1-(4,4-dimethyl-2-oxopentoxy)-4,4-dimethylpentan-2-one;2,2,6,6-tetramethylheptan-4-one;2,2,12,12-tetramethyltridecane-4,10-dione?
The canonical SMILES for 1,3-bis(6,6-dimethyl-4-oxoheptyl)urea;(2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;(2R,3R)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-4-(3,3-dimethylbutanoyl)benzamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[2-[2-(6,6-dimethyl-4-oxoheptoxy)ethoxy]ethyl]urea;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(6,6-dimethyl-4-oxoheptyl)urea;N-tert-butyl-8,8-dimethyl-6-oxononanamide;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;1-tert-butyl-3-(12,12-dimethyl-10-oxotridecyl)urea;1-tert-butyl-3-(10,10-dimethyl-8-oxoundecyl)urea;(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;1-N,2-N-ditert-butylbenzene-1,2-dicarboxamide;1-(6,6-dimethyl-4-oxoheptoxy)-6,6-dimethylheptan-4-one;1-(4,4-dimethyl-2-oxopentoxy)-4,4-dimethylpentan-2-one;2,2,6,6-tetramethylheptan-4-one;2,2,12,12-tetramethyltridecane-4,10-dione is CC(C)(C)CC(=O)CC(C)(C)C.CC(C)(C)CC(=O)CCC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCCC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCCCC(=O)CC(C)(C)C.CC(C)(C)CC(=O)CCCCCCCCCNC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCCCCCNC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCCCNC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCNC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCNC(=O)NCCCC(=O)CC(C)(C)C.CC(C)(C)CC(=O)CCCNC(=O)NCCCCCC(=O)CCCNC(=O)NC(C)(C)C.CC(C)(C)CC(=O)CCCOCCCC(=O)CC(C)(C)C.CC(C)(C)CC(=O)CCCOCCOCCNC(=O)NC(C)(C)C.CC(C)(C)CC(=O)COCC(=O)CC(C)(C)C.CC(C)(C)CC(=O)Cc1ccc(NC(=O)NC(C)(C)C)cc1.CC(C)(C)CC(=O)[C@@H](O)[C@H](O)C(=O)NC(C)(C)C.CC(C)(C)CC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)NC(C)(C)C.CC(C)(C)CC(=O)[C@H](O)[C@@H](O)C(=O)NC(C)(C)C.CC(C)(C)CC(=O)c1ccc(C(=O)NC(C)(C)C)cc1.CC(C)(C)NC(=O)c1ccccc1C(=O)NC(C)(C)C.
What is the InChIKey of 1,3-bis(6,6-dimethyl-4-oxoheptyl)urea;(2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;(2R,3R)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-4-(3,3-dimethylbutanoyl)benzamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[2-[2-(6,6-dimethyl-4-oxoheptoxy)ethoxy]ethyl]urea;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(6,6-dimethyl-4-oxoheptyl)urea;N-tert-butyl-8,8-dimethyl-6-oxononanamide;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;1-tert-butyl-3-(12,12-dimethyl-10-oxotridecyl)urea;1-tert-butyl-3-(10,10-dimethyl-8-oxoundecyl)urea;(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;1-N,2-N-ditert-butylbenzene-1,2-dicarboxamide;1-(6,6-dimethyl-4-oxoheptoxy)-6,6-dimethylheptan-4-one;1-(4,4-dimethyl-2-oxopentoxy)-4,4-dimethylpentan-2-one;2,2,6,6-tetramethylheptan-4-one;2,2,12,12-tetramethyltridecane-4,10-dione?
The InChIKey is KIVFBEAXNJFBQH-AYJSFZPOSA-N. The full InChI is InChI=1S/C24H46N4O4.C20H40N2O2.C19H36N2O3.C18H36N2O4.C18H28N2O2.C18H36N2O2.C18H34O3.C17H25NO2.C17H32O2.C16H24N2O2.C16H32N2O2.C15H29NO6.C15H29NO2.C14H28N2O2.C14H26O3.2C13H25NO4.C13H25NO2.C11H22O/c1-23(2,3)18-20(30)14-11-16-26-21(31)25-15-9-7-8-12-19(29)13-10-17-27-22(32)28-24(4,5)6;1-19(2,3)16-17(23)14-12-10-8-7-9-11-13-15-21-18(24)22-20(4,5)6;1-18(2,3)13-15(22)9-7-11-20-17(24)21-12-8-10-16(23)14-19(4,5)6;1-17(2,3)14-15(21)8-7-10-23-12-13-24-11-9-19-16(22)20-18(4,5)6;1-17(2,3)12-15(21)11-13-7-9-14(10-8-13)19-16(22)20-18(4,5)6;1-17(2,3)14-15(21)12-10-8-7-9-11-13-19-16(22)20-18(4,5)6;1-17(2,3)13-15(19)9-7-11-21-12-8-10-16(20)14-18(4,5)6;1-16(2,3)11-14(19)12-7-9-13(10-8-12)15(20)18-17(4,5)6;1-16(2,3)12-14(18)10-8-7-9-11-15(19)13-17(4,5)6;1-15(2,3)17-13(19)11-9-7-8-10-12(11)14(20)18-16(4,5)6;1-15(2,3)12-13(19)10-8-7-9-11-17-14(20)18-16(4,5)6;1-14(2,3)7-8(17)9(18)10(19)11(20)12(21)13(22)16-15(4,5)6;1-14(2,3)11-12(17)9-7-8-10-13(18)16-15(4,5)6;1-13(2,3)10-11(17)8-7-9-15-12(18)16-14(4,5)6;1-13(2,3)7-11(15)9-17-10-12(16)8-14(4,5)6;2*1-12(2,3)7-8(15)9(16)10(17)11(18)14-13(4,5)6;1-12(2,3)9-10(15)7-8-11(16)14-13(4,5)6;1-10(2,3)7-9(12)8-11(4,5)6/h7-18H2,1-6H3,(H2,25,26,31)(H2,27,28,32);7-16H2,1-6H3,(H2,21,22,24);7-14H2,1-6H3,(H2,20,21,24);7-14H2,1-6H3,(H2,19,20,22);7-10H,11-12H2,1-6H3,(H2,19,20,22);7-14H2,1-6H3,(H2,19,20,22);7-14H2,1-6H3;7-10H,11H2,1-6H3,(H,18,20);7-13H2,1-6H3;7-10H,1-6H3,(H,17,19)(H,18,20);7-12H2,1-6H3,(H2,17,18,20);9-12,18-21H,7H2,1-6H3,(H,16,22);7-11H2,1-6H3,(H,16,18);7-10H2,1-6H3,(H2,15,16,18);7-10H2,1-6H3;2*9-10,16-17H,7H2,1-6H3,(H,14,18);7-9H2,1-6H3,(H,14,16);7-8H2,1-6H3/t;;;;;;;;;;;9-,10+,11+,12-;;;;2*9-,10+;;/m...........1...10../s1.
What are the key properties of 1,3-bis(6,6-dimethyl-4-oxoheptyl)urea;(2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;(2R,3R)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-4-(3,3-dimethylbutanoyl)benzamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[2-[2-(6,6-dimethyl-4-oxoheptoxy)ethoxy]ethyl]urea;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(6,6-dimethyl-4-oxoheptyl)urea;N-tert-butyl-8,8-dimethyl-6-oxononanamide;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;1-tert-butyl-3-(12,12-dimethyl-10-oxotridecyl)urea;1-tert-butyl-3-(10,10-dimethyl-8-oxoundecyl)urea;(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;1-N,2-N-ditert-butylbenzene-1,2-dicarboxamide;1-(6,6-dimethyl-4-oxoheptoxy)-6,6-dimethylheptan-4-one;1-(4,4-dimethyl-2-oxopentoxy)-4,4-dimethylpentan-2-one;2,2,6,6-tetramethylheptan-4-one;2,2,12,12-tetramethyltridecane-4,10-dione?
1,3-bis(6,6-dimethyl-4-oxoheptyl)urea;(2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;(2R,3R)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-4-(3,3-dimethylbutanoyl)benzamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[2-[2-(6,6-dimethyl-4-oxoheptoxy)ethoxy]ethyl]urea;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(6,6-dimethyl-4-oxoheptyl)urea;N-tert-butyl-8,8-dimethyl-6-oxononanamide;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;1-tert-butyl-3-(12,12-dimethyl-10-oxotridecyl)urea;1-tert-butyl-3-(10,10-dimethyl-8-oxoundecyl)urea;(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;1-N,2-N-ditert-butylbenzene-1,2-dicarboxamide;1-(6,6-dimethyl-4-oxoheptoxy)-6,6-dimethylheptan-4-one;1-(4,4-dimethyl-2-oxopentoxy)-4,4-dimethylpentan-2-one;2,2,6,6-tetramethylheptan-4-one;2,2,12,12-tetramethyltridecane-4,10-dione has a molecular weight of 5490.15 g/mol, XLogP of 60.45, 127 rotatable bonds, 34 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(6,6-dimethyl-4-oxoheptyl)urea;(2S,3S)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;(2R,3R)-N-tert-butyl-2,3-dihydroxy-6,6-dimethyl-4-oxoheptanamide;N-tert-butyl-4-(3,3-dimethylbutanoyl)benzamide;N-tert-butyl-6,6-dimethyl-4-oxoheptanamide;1-tert-butyl-3-[2-[2-(6,6-dimethyl-4-oxoheptoxy)ethoxy]ethyl]urea;1-tert-butyl-3-[9-[(6,6-dimethyl-4-oxoheptyl)carbamoylamino]-4-oxononyl]urea;1-tert-butyl-3-(6,6-dimethyl-4-oxoheptyl)urea;N-tert-butyl-8,8-dimethyl-6-oxononanamide;1-tert-butyl-3-(8,8-dimethyl-6-oxononyl)urea;1-tert-butyl-3-[4-(4,4-dimethyl-2-oxopentyl)phenyl]urea;1-tert-butyl-3-(12,12-dimethyl-10-oxotridecyl)urea;1-tert-butyl-3-(10,10-dimethyl-8-oxoundecyl)urea;(2R,3S,4R,5S)-N-tert-butyl-2,3,4,5-tetrahydroxy-8,8-dimethyl-6-oxononanamide;1-N,2-N-ditert-butylbenzene-1,2-dicarboxamide;1-(6,6-dimethyl-4-oxoheptoxy)-6,6-dimethylheptan-4-one;1-(4,4-dimethyl-2-oxopentoxy)-4,4-dimethylpentan-2-one;2,2,6,6-tetramethylheptan-4-one;2,2,12,12-tetramethyltridecane-4,10-dione is sourced from PubChem (CID 159147170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).