4-chloro-N-(3-methylbutyl)benzamide;cyclohexyl 3-methylbutanoate;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;2-ethoxy-5-methylhex-1-ene;ethyl 3-methylbutanoate;(4-fluorophenyl) 3-methylbutanoate;methane;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;3-methylbutyl 3-methylbutanoate;5-methylhex-1-en-2-ol;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1,1-dioxide;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;methyl 3-methylbutanoate;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-1-(2-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-morpholin-4-ylpentan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine;4-methyl-1-thiomorpholin-4-ylpentan-1-one;propan-2-yl 3-methylbutanoate

C260H507ClFN17O31S3 — CID 158450143

IUPAC4-chloro-N-(3-methylbutyl)benzamide;cyclohexyl 3-methylbutanoate;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;2-ethoxy-5-methylhex-1-ene;ethyl 3-methylbutanoate;(4-fluorophenyl) 3-methylbutanoate;methane;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;3-methylbutyl 3-methylbutanoate;5-methylhex-1-en-2-ol;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1,1-dioxide;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;methyl 3-methylbutanoate;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-1-(2-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-morpholin-4-ylpentan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine;4-methyl-1-thiomorpholin-4-ylpentan-1-one;propan-2-yl 3-methylbutanoate
SMILESC.C.C.C.C.C.C.C.C.C.C.C=C(CC(C)C)NC(C)C.C=C(CCC(C)C)N1CCS(=O)(=O)CC1.C=C(CCC(C)C)N1CCS(=O)CC1.C=C(CCC(C)C)OCC.C=C(O)CCC(C)C.CC(C)CC(=O)OC(C)C.CC(C)CC(=O)OC1CCCCC1.CC(C)CC(=O)Oc1ccc(F)cc1.CC(C)CCC(=O)N1CCC(C)CC1.CC(C)CCC(=O)N1CCCCC1.CC(C)CCC(=O)N1CCCCC1(C)C.CC(C)CCC(=O)N1CCCCC1C.CC(C)CCC(=O)N1CCCC[C@H]1C.CC(C)CCC(=O)N1CCOCC1.CC(C)CCC(=O)N1CCSCC1.CC(C)CCNC(=O)C(C)C.CC(C)CCNC(=O)C1CCC(C)CC1.CC(C)CCNC(=O)C1CCCC1.CC(C)CCNC(=O)C1CCN(C)CC1.CC(C)CCNC(=O)c1ccc(Cl)cc1.CC(C)CCNC(=O)c1ccccc1.CC(C)CCOC(=O)CC(C)C.CCOC(=O)CC(C)C.COC(=O)CC(C)C
InChIInChI=1S/2C13H25NO.C12H16ClNO.C12H24N2O.3C12H23NO.C12H17NO.C11H13FO2.C11H21NO2S.C11H21NOS.2C11H21NO.C11H20O2.C10H19NO2.C10H19NOS.C10H20O2.C9H19NO.C9H19N.C9H18O.C8H16O2.C7H14O2.C7H14O.C6H12O2.11CH4/c1-11(2)7-8-12(15)14-10-6-5-9-13(14,3)4;1-10(2)8-9-14-13(15)12-6-4-11(3)5-7-12;1-9(2)7-8-14-12(15)10-3-5-11(13)6-4-10;1-10(2)4-7-13-12(15)11-5-8-14(3)9-6-11;1-10(2)4-5-12(14)13-8-6-11(3)7-9-13;2*1-10(2)7-8-12(14)13-9-5-4-6-11(13)3;1-10(2)8-9-13-12(14)11-6-4-3-5-7-11;1-8(2)7-11(13)14-10-5-3-9(12)4-6-10;1-10(2)4-5-11(3)12-6-8-15(13,14)9-7-12;1-10(2)4-5-11(3)12-6-8-14(13)9-7-12;1-10(2)6-7-11(13)12-8-4-3-5-9-12;1-9(2)7-8-12-11(13)10-5-3-4-6-10;1-9(2)8-11(12)13-10-6-4-3-5-7-10;2*1-9(2)3-4-10(12)11-5-7-13-8-6-11;1-8(2)5-6-12-10(11)7-9(3)4;1-7(2)5-6-10-9(11)8(3)4;1-7(2)6-9(5)10-8(3)4;1-5-10-9(4)7-6-8(2)3;1-6(2)5-8(9)10-7(3)4;1-4-9-7(8)5-6(2)3;1-6(2)4-5-7(3)8;1-5(2)4-6(7)8-3;;;;;;;;;;;/h11H,5-10H2,1-4H3;10-12H,4-9H2,1-3H3,(H,14,15);3-6,9H,7-8H2,1-2H3,(H,14,15);10-11H,4-9H2,1-3H3,(H,13,15);3*10-11H,4-9H2,1-3H3;3-7,10H,8-9H2,1-2H3,(H,13,14);3-6,8H,7H2,1-2H3;10H,3-9H2,1-2H3;10H,3-9H2,1-2H3;10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3,(H,12,13);9-10H,3-8H2,1-2H3;2*9H,3-8H2,1-2H3;8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3,(H,10,11);7-8,10H,5-6H2,1-4H3;8H,4-7H2,1-3H3;6-7H,5H2,1-4H3;6H,4-5H2,1-3H3;6,8H,3-5H2,1-2H3;5H,4H2,1-3H3;11*1H4/t;;;;;11-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m.....1............................./s1
InChIKeyHDWLZZZXNQQADU-LPEMBRCYSA-N
MW4518.66 g/mol
LogP63.21
Rot. Bonds84

About 4-chloro-N-(3-methylbutyl)benzamide;cyclohexyl 3-methylbutanoate;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;2-ethoxy-5-methylhex-1-ene;ethyl 3-methylbutanoate;(4-fluorophenyl) 3-methylbutanoate;methane;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;3-methylbutyl 3-methylbutanoate;5-methylhex-1-en-2-ol;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1,1-dioxide;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;methyl 3-methylbutanoate;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-1-(2-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-morpholin-4-ylpentan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine;4-methyl-1-thiomorpholin-4-ylpentan-1-one;propan-2-yl 3-methylbutanoate

4-chloro-N-(3-methylbutyl)benzamide;cyclohexyl 3-methylbutanoate;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;2-ethoxy-5-methylhex-1-ene;ethyl 3-methylbutanoate;(4-fluorophenyl) 3-methylbutanoate;methane;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;3-methylbutyl 3-methylbutanoate;5-methylhex-1-en-2-ol;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1,1-dioxide;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;methyl 3-methylbutanoate;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-1-(2-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-morpholin-4-ylpentan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine;4-methyl-1-thiomorpholin-4-ylpentan-1-one;propan-2-yl 3-methylbutanoate (PubChem CID 158450143) has the molecular formula C260H507ClFN17O31S3 and a molecular weight of 4518.66 g/mol. Its IUPAC name is 4-chloro-N-(3-methylbutyl)benzamide;cyclohexyl 3-methylbutanoate;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;2-ethoxy-5-methylhex-1-ene;ethyl 3-methylbutanoate;(4-fluorophenyl) 3-methylbutanoate;methane;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;3-methylbutyl 3-methylbutanoate;5-methylhex-1-en-2-ol;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1,1-dioxide;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;methyl 3-methylbutanoate;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-1-(2-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-morpholin-4-ylpentan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine;4-methyl-1-thiomorpholin-4-ylpentan-1-one;propan-2-yl 3-methylbutanoate.

Molecular Properties

Compound Name4-chloro-N-(3-methylbutyl)benzamide;cyclohexyl 3-methylbutanoate;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;2-ethoxy-5-methylhex-1-ene;ethyl 3-methylbutanoate;(4-fluorophenyl) 3-methylbutanoate;methane;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;3-methylbutyl 3-methylbutanoate;5-methylhex-1-en-2-ol;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1,1-dioxide;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;methyl 3-methylbutanoate;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-1-(2-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-morpholin-4-ylpentan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine;4-methyl-1-thiomorpholin-4-ylpentan-1-one;propan-2-yl 3-methylbutanoate
PubChem CID158450143
Molecular FormulaC260H507ClFN17O31S3
Molecular Weight4518.66 g/mol
Exact Mass4514.75
IUPAC Name4-chloro-N-(3-methylbutyl)benzamide;cyclohexyl 3-methylbutanoate;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;2-ethoxy-5-methylhex-1-ene;ethyl 3-methylbutanoate;(4-fluorophenyl) 3-methylbutanoate;methane;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;3-methylbutyl 3-methylbutanoate;5-methylhex-1-en-2-ol;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1,1-dioxide;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;methyl 3-methylbutanoate;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-1-(2-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-morpholin-4-ylpentan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine;4-methyl-1-thiomorpholin-4-ylpentan-1-one;propan-2-yl 3-methylbutanoate
SMILESC.C.C.C.C.C.C.C.C.C.C.C=C(CC(C)C)NC(C)C.C=C(CCC(C)C)N1CCS(=O)(=O)CC1.C=C(CCC(C)C)N1CCS(=O)CC1.C=C(CCC(C)C)OCC.C=C(O)CCC(C)C.CC(C)CC(=O)OC(C)C.CC(C)CC(=O)OC1CCCCC1.CC(C)CC(=O)Oc1ccc(F)cc1.CC(C)CCC(=O)N1CCC(C)CC1.CC(C)CCC(=O)N1CCCCC1.CC(C)CCC(=O)N1CCCCC1(C)C.CC(C)CCC(=O)N1CCCCC1C.CC(C)CCC(=O)N1CCCC[C@H]1C.CC(C)CCC(=O)N1CCOCC1.CC(C)CCC(=O)N1CCSCC1.CC(C)CCNC(=O)C(C)C.CC(C)CCNC(=O)C1CCC(C)CC1.CC(C)CCNC(=O)C1CCCC1.CC(C)CCNC(=O)C1CCN(C)CC1.CC(C)CCNC(=O)c1ccc(Cl)cc1.CC(C)CCNC(=O)c1ccccc1.CC(C)CCOC(=O)CC(C)C.CCOC(=O)CC(C)C.COC(=O)CC(C)C
InChIInChI=1S/2C13H25NO.C12H16ClNO.C12H24N2O.3C12H23NO.C12H17NO.C11H13FO2.C11H21NO2S.C11H21NOS.2C11H21NO.C11H20O2.C10H19NO2.C10H19NOS.C10H20O2.C9H19NO.C9H19N.C9H18O.C8H16O2.C7H14O2.C7H14O.C6H12O2.11CH4/c1-11(2)7-8-12(15)14-10-6-5-9-13(14,3)4;1-10(2)8-9-14-13(15)12-6-4-11(3)5-7-12;1-9(2)7-8-14-12(15)10-3-5-11(13)6-4-10;1-10(2)4-7-13-12(15)11-5-8-14(3)9-6-11;1-10(2)4-5-12(14)13-8-6-11(3)7-9-13;2*1-10(2)7-8-12(14)13-9-5-4-6-11(13)3;1-10(2)8-9-13-12(14)11-6-4-3-5-7-11;1-8(2)7-11(13)14-10-5-3-9(12)4-6-10;1-10(2)4-5-11(3)12-6-8-15(13,14)9-7-12;1-10(2)4-5-11(3)12-6-8-14(13)9-7-12;1-10(2)6-7-11(13)12-8-4-3-5-9-12;1-9(2)7-8-12-11(13)10-5-3-4-6-10;1-9(2)8-11(12)13-10-6-4-3-5-7-10;2*1-9(2)3-4-10(12)11-5-7-13-8-6-11;1-8(2)5-6-12-10(11)7-9(3)4;1-7(2)5-6-10-9(11)8(3)4;1-7(2)6-9(5)10-8(3)4;1-5-10-9(4)7-6-8(2)3;1-6(2)5-8(9)10-7(3)4;1-4-9-7(8)5-6(2)3;1-6(2)4-5-7(3)8;1-5(2)4-6(7)8-3;;;;;;;;;;;/h11H,5-10H2,1-4H3;10-12H,4-9H2,1-3H3,(H,14,15);3-6,9H,7-8H2,1-2H3,(H,14,15);10-11H,4-9H2,1-3H3,(H,13,15);3*10-11H,4-9H2,1-3H3;3-7,10H,8-9H2,1-2H3,(H,13,14);3-6,8H,7H2,1-2H3;10H,3-9H2,1-2H3;10H,3-9H2,1-2H3;10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3,(H,12,13);9-10H,3-8H2,1-2H3;2*9H,3-8H2,1-2H3;8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3,(H,10,11);7-8,10H,5-6H2,1-4H3;8H,4-7H2,1-3H3;6-7H,5H2,1-4H3;6H,4-5H2,1-3H3;6,8H,3-5H2,1-2H3;5H,4H2,1-3H3;11*1H4/t;;;;;11-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m.....1............................./s1
InChIKeyHDWLZZZXNQQADU-LPEMBRCYSA-N
XLogP63.21
TPSA586.22 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds84
Heavy Atoms313
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004518.66
LogP ≤ 563.21
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Analyze 4-chloro-N-(3-methylbutyl)benzamide;cyclohexyl 3-methylbutanoate;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;2-ethoxy-5-methylhex-1-ene;ethyl 3-methylbutanoate;(4-fluorophenyl) 3-methylbutanoate;methane;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;3-methylbutyl 3-methylbutanoate;5-methylhex-1-en-2-ol;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1,1-dioxide;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;methyl 3-methylbutanoate;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-1-(2-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-morpholin-4-ylpentan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine;4-methyl-1-thiomorpholin-4-ylpentan-1-one;propan-2-yl 3-methylbutanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylbutyl)benzamide;cyclohexyl 3-methylbutanoate;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;2-ethoxy-5-methylhex-1-ene;ethyl 3-methylbutanoate;(4-fluorophenyl) 3-methylbutanoate;methane;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;3-methylbutyl 3-methylbutanoate;5-methylhex-1-en-2-ol;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1,1-dioxide;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;methyl 3-methylbutanoate;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-1-(2-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-morpholin-4-ylpentan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine;4-methyl-1-thiomorpholin-4-ylpentan-1-one;propan-2-yl 3-methylbutanoate?
The IUPAC name of 4-chloro-N-(3-methylbutyl)benzamide;cyclohexyl 3-methylbutanoate;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;2-ethoxy-5-methylhex-1-ene;ethyl 3-methylbutanoate;(4-fluorophenyl) 3-methylbutanoate;methane;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;3-methylbutyl 3-methylbutanoate;5-methylhex-1-en-2-ol;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1,1-dioxide;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;methyl 3-methylbutanoate;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-1-(2-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-morpholin-4-ylpentan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine;4-methyl-1-thiomorpholin-4-ylpentan-1-one;propan-2-yl 3-methylbutanoate (CID 158450143) is 4-chloro-N-(3-methylbutyl)benzamide;cyclohexyl 3-methylbutanoate;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;2-ethoxy-5-methylhex-1-ene;ethyl 3-methylbutanoate;(4-fluorophenyl) 3-methylbutanoate;methane;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;3-methylbutyl 3-methylbutanoate;5-methylhex-1-en-2-ol;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1,1-dioxide;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;methyl 3-methylbutanoate;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-1-(2-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-morpholin-4-ylpentan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine;4-methyl-1-thiomorpholin-4-ylpentan-1-one;propan-2-yl 3-methylbutanoate.
What is the SMILES notation for 4-chloro-N-(3-methylbutyl)benzamide;cyclohexyl 3-methylbutanoate;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;2-ethoxy-5-methylhex-1-ene;ethyl 3-methylbutanoate;(4-fluorophenyl) 3-methylbutanoate;methane;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;3-methylbutyl 3-methylbutanoate;5-methylhex-1-en-2-ol;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1,1-dioxide;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;methyl 3-methylbutanoate;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-1-(2-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-morpholin-4-ylpentan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine;4-methyl-1-thiomorpholin-4-ylpentan-1-one;propan-2-yl 3-methylbutanoate?
The canonical SMILES for 4-chloro-N-(3-methylbutyl)benzamide;cyclohexyl 3-methylbutanoate;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;2-ethoxy-5-methylhex-1-ene;ethyl 3-methylbutanoate;(4-fluorophenyl) 3-methylbutanoate;methane;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;3-methylbutyl 3-methylbutanoate;5-methylhex-1-en-2-ol;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1,1-dioxide;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;methyl 3-methylbutanoate;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-1-(2-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-morpholin-4-ylpentan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine;4-methyl-1-thiomorpholin-4-ylpentan-1-one;propan-2-yl 3-methylbutanoate is C.C.C.C.C.C.C.C.C.C.C.C=C(CC(C)C)NC(C)C.C=C(CCC(C)C)N1CCS(=O)(=O)CC1.C=C(CCC(C)C)N1CCS(=O)CC1.C=C(CCC(C)C)OCC.C=C(O)CCC(C)C.CC(C)CC(=O)OC(C)C.CC(C)CC(=O)OC1CCCCC1.CC(C)CC(=O)Oc1ccc(F)cc1.CC(C)CCC(=O)N1CCC(C)CC1.CC(C)CCC(=O)N1CCCCC1.CC(C)CCC(=O)N1CCCCC1(C)C.CC(C)CCC(=O)N1CCCCC1C.CC(C)CCC(=O)N1CCCC[C@H]1C.CC(C)CCC(=O)N1CCOCC1.CC(C)CCC(=O)N1CCSCC1.CC(C)CCNC(=O)C(C)C.CC(C)CCNC(=O)C1CCC(C)CC1.CC(C)CCNC(=O)C1CCCC1.CC(C)CCNC(=O)C1CCN(C)CC1.CC(C)CCNC(=O)c1ccc(Cl)cc1.CC(C)CCNC(=O)c1ccccc1.CC(C)CCOC(=O)CC(C)C.CCOC(=O)CC(C)C.COC(=O)CC(C)C.
What is the InChIKey of 4-chloro-N-(3-methylbutyl)benzamide;cyclohexyl 3-methylbutanoate;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;2-ethoxy-5-methylhex-1-ene;ethyl 3-methylbutanoate;(4-fluorophenyl) 3-methylbutanoate;methane;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;3-methylbutyl 3-methylbutanoate;5-methylhex-1-en-2-ol;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1,1-dioxide;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;methyl 3-methylbutanoate;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-1-(2-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-morpholin-4-ylpentan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine;4-methyl-1-thiomorpholin-4-ylpentan-1-one;propan-2-yl 3-methylbutanoate?
The InChIKey is HDWLZZZXNQQADU-LPEMBRCYSA-N. The full InChI is InChI=1S/2C13H25NO.C12H16ClNO.C12H24N2O.3C12H23NO.C12H17NO.C11H13FO2.C11H21NO2S.C11H21NOS.2C11H21NO.C11H20O2.C10H19NO2.C10H19NOS.C10H20O2.C9H19NO.C9H19N.C9H18O.C8H16O2.C7H14O2.C7H14O.C6H12O2.11CH4/c1-11(2)7-8-12(15)14-10-6-5-9-13(14,3)4;1-10(2)8-9-14-13(15)12-6-4-11(3)5-7-12;1-9(2)7-8-14-12(15)10-3-5-11(13)6-4-10;1-10(2)4-7-13-12(15)11-5-8-14(3)9-6-11;1-10(2)4-5-12(14)13-8-6-11(3)7-9-13;2*1-10(2)7-8-12(14)13-9-5-4-6-11(13)3;1-10(2)8-9-13-12(14)11-6-4-3-5-7-11;1-8(2)7-11(13)14-10-5-3-9(12)4-6-10;1-10(2)4-5-11(3)12-6-8-15(13,14)9-7-12;1-10(2)4-5-11(3)12-6-8-14(13)9-7-12;1-10(2)6-7-11(13)12-8-4-3-5-9-12;1-9(2)7-8-12-11(13)10-5-3-4-6-10;1-9(2)8-11(12)13-10-6-4-3-5-7-10;2*1-9(2)3-4-10(12)11-5-7-13-8-6-11;1-8(2)5-6-12-10(11)7-9(3)4;1-7(2)5-6-10-9(11)8(3)4;1-7(2)6-9(5)10-8(3)4;1-5-10-9(4)7-6-8(2)3;1-6(2)5-8(9)10-7(3)4;1-4-9-7(8)5-6(2)3;1-6(2)4-5-7(3)8;1-5(2)4-6(7)8-3;;;;;;;;;;;/h11H,5-10H2,1-4H3;10-12H,4-9H2,1-3H3,(H,14,15);3-6,9H,7-8H2,1-2H3,(H,14,15);10-11H,4-9H2,1-3H3,(H,13,15);3*10-11H,4-9H2,1-3H3;3-7,10H,8-9H2,1-2H3,(H,13,14);3-6,8H,7H2,1-2H3;10H,3-9H2,1-2H3;10H,3-9H2,1-2H3;10H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3,(H,12,13);9-10H,3-8H2,1-2H3;2*9H,3-8H2,1-2H3;8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3,(H,10,11);7-8,10H,5-6H2,1-4H3;8H,4-7H2,1-3H3;6-7H,5H2,1-4H3;6H,4-5H2,1-3H3;6,8H,3-5H2,1-2H3;5H,4H2,1-3H3;11*1H4/t;;;;;11-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m.....1............................./s1.
What are the key properties of 4-chloro-N-(3-methylbutyl)benzamide;cyclohexyl 3-methylbutanoate;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;2-ethoxy-5-methylhex-1-ene;ethyl 3-methylbutanoate;(4-fluorophenyl) 3-methylbutanoate;methane;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;3-methylbutyl 3-methylbutanoate;5-methylhex-1-en-2-ol;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1,1-dioxide;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;methyl 3-methylbutanoate;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-1-(2-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-morpholin-4-ylpentan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine;4-methyl-1-thiomorpholin-4-ylpentan-1-one;propan-2-yl 3-methylbutanoate?
4-chloro-N-(3-methylbutyl)benzamide;cyclohexyl 3-methylbutanoate;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;2-ethoxy-5-methylhex-1-ene;ethyl 3-methylbutanoate;(4-fluorophenyl) 3-methylbutanoate;methane;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;3-methylbutyl 3-methylbutanoate;5-methylhex-1-en-2-ol;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1,1-dioxide;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;methyl 3-methylbutanoate;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-1-(2-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-morpholin-4-ylpentan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine;4-methyl-1-thiomorpholin-4-ylpentan-1-one;propan-2-yl 3-methylbutanoate has a molecular weight of 4518.66 g/mol, XLogP of 63.21, 84 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylbutyl)benzamide;cyclohexyl 3-methylbutanoate;1-(2,2-dimethylpiperidin-1-yl)-4-methylpentan-1-one;2-ethoxy-5-methylhex-1-ene;ethyl 3-methylbutanoate;(4-fluorophenyl) 3-methylbutanoate;methane;N-(3-methylbutyl)benzamide;N-(3-methylbutyl)cyclopentanecarboxamide;3-methylbutyl 3-methylbutanoate;5-methylhex-1-en-2-ol;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1,1-dioxide;4-(5-methylhex-1-en-2-yl)-1,4-thiazinane 1-oxide;methyl 3-methylbutanoate;4-methyl-N-(3-methylbutyl)cyclohexane-1-carboxamide;1-methyl-N-(3-methylbutyl)piperidine-4-carboxamide;2-methyl-N-(3-methylbutyl)propanamide;4-methyl-1-(2-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-[(2R)-2-methylpiperidin-1-yl]pentan-1-one;4-methyl-1-(4-methylpiperidin-1-yl)pentan-1-one;4-methyl-1-morpholin-4-ylpentan-1-one;4-methyl-1-piperidin-1-ylpentan-1-one;4-methyl-N-propan-2-ylpent-1-en-2-amine;4-methyl-1-thiomorpholin-4-ylpentan-1-one;propan-2-yl 3-methylbutanoate is sourced from PubChem (CID 158450143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).