N-benzyl-N-[4-[4-[benzyl(prop-2-enoyl)amino]butoxy]butyl]prop-2-enamide;N-benzyl-N-[2-[benzyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2,2-bis[(prop-2-enoylamino)methyl]butyl]prop-2-enamide;N-ethyl-N-[[4-[[ethyl(prop-2-enoyl)amino]methyl]cyclohexyl]methyl]prop-2-enamide;N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-[2-[(1-hydroxyprop-2-enylamino)methyl]-3-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]propyl]prop-2-enamide;N-methyl-N-[[4-[[methyl(prop-2-enoyl)amino]methyl]phenyl]methyl]prop-2-enamide;N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-methyl-N-[3-[3-[methyl(prop-2-enoyl)amino]propyl-prop-2-enoylamino]propyl]prop-2-enamide;N-methyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide;N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide;N-[2,4,5,5-tetramethyl-4-(prop-2-enoylamino)cyclohexyl]prop-2-enamide

C208H308N28O29 — CID 163714073

IUPACN-benzyl-N-[4-[4-[benzyl(prop-2-enoyl)amino]butoxy]butyl]prop-2-enamide;N-benzyl-N-[2-[benzyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2,2-bis[(prop-2-enoylamino)methyl]butyl]prop-2-enamide;N-ethyl-N-[[4-[[ethyl(prop-2-enoyl)amino]methyl]cyclohexyl]methyl]prop-2-enamide;N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-[2-[(1-hydroxyprop-2-enylamino)methyl]-3-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]propyl]prop-2-enamide;N-methyl-N-[[4-[[methyl(prop-2-enoyl)amino]methyl]phenyl]methyl]prop-2-enamide;N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-methyl-N-[3-[3-[methyl(prop-2-enoyl)amino]propyl-prop-2-enoylamino]propyl]prop-2-enamide;N-methyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide;N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide;N-[2,4,5,5-tetramethyl-4-(prop-2-enoylamino)cyclohexyl]prop-2-enamide
SMILESC=CC(=O)N(C)CCC(C)(C)CC(C)CN(C)C(=O)C=C.C=CC(=O)N(C)CCCN(C)C(=O)C=C.C=CC(=O)N(C)CCCN(CCCN(C)C(=O)C=C)C(=O)C=C.C=CC(=O)N(C)Cc1ccc(CN(C)C(=O)C=C)cc1.C=CC(=O)N(CC)CC1CCC(CN(CC)C(=O)C=C)CC1.C=CC(=O)N(CC)CCCN(CC)C(=O)C=C.C=CC(=O)N(CCCCOCCCCN(Cc1ccccc1)C(=O)C=C)Cc1ccccc1.C=CC(=O)N(CCN(Cc1ccccc1)C(=O)C=C)Cc1ccccc1.C=CC(=O)NC1CC(C)(C)C(C)(NC(=O)C=C)CC1C.C=CC(=O)NCC(CC)(CNC(=O)C=C)CNC(=O)C=C.C=CC(=O)NCC(CNC(=O)C=C)(CNC(=O)C=C)CNC(O)C=C.C=CC(=O)NCC1CC2CC1C1CCC(CNC(=O)C=C)C21
InChIInChI=1S/C28H36N2O3.C22H24N2O2.C18H26N2O2.C18H30N2O2.C17H26N4O4.C17H27N3O3.C17H30N2O2.C16H26N2O2.C16H20N2O2.C15H23N3O3.C13H22N2O2.C11H18N2O2/c1-3-27(31)29(23-25-15-7-5-8-16-25)19-11-13-21-33-22-14-12-20-30(28(32)4-2)24-26-17-9-6-10-18-26;1-3-21(25)23(17-19-11-7-5-8-12-19)15-16-24(22(26)4-2)18-20-13-9-6-10-14-20;1-3-16(21)19-9-11-5-6-14-15-8-12(18(11)14)7-13(15)10-20-17(22)4-2;1-5-17(21)19(7-3)13-15-9-11-16(12-10-15)14-20(8-4)18(22)6-2;1-5-13(22)18-9-17(10-19-14(23)6-2,11-20-15(24)7-3)12-21-16(25)8-4;1-6-15(21)18(4)11-9-13-20(17(23)8-3)14-10-12-19(5)16(22)7-2;1-8-15(20)18(6)11-10-17(4,5)12-14(3)13-19(7)16(21)9-2;1-7-13(19)17-12-10-15(4,5)16(6,9-11(12)3)18-14(20)8-2;1-5-15(19)17(3)11-13-7-9-14(10-8-13)12-18(4)16(20)6-2;1-5-12(19)16-9-15(8-4,10-17-13(20)6-2)11-18-14(21)7-3;1-5-12(16)14(7-3)10-9-11-15(8-4)13(17)6-2;1-5-10(14)12(3)8-7-9-13(4)11(15)6-2/h3-10,15-18H,1-2,11-14,19-24H2;3-14H,1-2,15-18H2;3-4,11-15,18H,1-2,5-10H2,(H,19,21)(H,20,22);5-6,15-16H,1-2,7-14H2,3-4H3;5-8,13,18,22H,1-4,9-12H2,(H,19,23)(H,20,24)(H,21,25);6-8H,1-3,9-14H2,4-5H3;8-9,14H,1-2,10-13H2,3-7H3;7-8,11-12H,1-2,9-10H2,3-6H3,(H,17,19)(H,18,20);5-10H,1-2,11-12H2,3-4H3;5-7H,1-3,8-11H2,4H3,(H,16,19)(H,17,20)(H,18,21);5-6H,1-2,7-11H2,3-4H3;5-6H,1-2,7-9H2,3-4H3
InChIKeyKLUPSDGYCHGUQK-UHFFFAOYSA-N
MW3664.92 g/mol
LogP22.47
Rot. Bonds106

About N-benzyl-N-[4-[4-[benzyl(prop-2-enoyl)amino]butoxy]butyl]prop-2-enamide;N-benzyl-N-[2-[benzyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2,2-bis[(prop-2-enoylamino)methyl]butyl]prop-2-enamide;N-ethyl-N-[[4-[[ethyl(prop-2-enoyl)amino]methyl]cyclohexyl]methyl]prop-2-enamide;N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-[2-[(1-hydroxyprop-2-enylamino)methyl]-3-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]propyl]prop-2-enamide;N-methyl-N-[[4-[[methyl(prop-2-enoyl)amino]methyl]phenyl]methyl]prop-2-enamide;N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-methyl-N-[3-[3-[methyl(prop-2-enoyl)amino]propyl-prop-2-enoylamino]propyl]prop-2-enamide;N-methyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide;N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide;N-[2,4,5,5-tetramethyl-4-(prop-2-enoylamino)cyclohexyl]prop-2-enamide

N-benzyl-N-[4-[4-[benzyl(prop-2-enoyl)amino]butoxy]butyl]prop-2-enamide;N-benzyl-N-[2-[benzyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2,2-bis[(prop-2-enoylamino)methyl]butyl]prop-2-enamide;N-ethyl-N-[[4-[[ethyl(prop-2-enoyl)amino]methyl]cyclohexyl]methyl]prop-2-enamide;N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-[2-[(1-hydroxyprop-2-enylamino)methyl]-3-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]propyl]prop-2-enamide;N-methyl-N-[[4-[[methyl(prop-2-enoyl)amino]methyl]phenyl]methyl]prop-2-enamide;N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-methyl-N-[3-[3-[methyl(prop-2-enoyl)amino]propyl-prop-2-enoylamino]propyl]prop-2-enamide;N-methyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide;N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide;N-[2,4,5,5-tetramethyl-4-(prop-2-enoylamino)cyclohexyl]prop-2-enamide (PubChem CID 163714073) has the molecular formula C208H308N28O29 and a molecular weight of 3664.92 g/mol. Its IUPAC name is N-benzyl-N-[4-[4-[benzyl(prop-2-enoyl)amino]butoxy]butyl]prop-2-enamide;N-benzyl-N-[2-[benzyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2,2-bis[(prop-2-enoylamino)methyl]butyl]prop-2-enamide;N-ethyl-N-[[4-[[ethyl(prop-2-enoyl)amino]methyl]cyclohexyl]methyl]prop-2-enamide;N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-[2-[(1-hydroxyprop-2-enylamino)methyl]-3-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]propyl]prop-2-enamide;N-methyl-N-[[4-[[methyl(prop-2-enoyl)amino]methyl]phenyl]methyl]prop-2-enamide;N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-methyl-N-[3-[3-[methyl(prop-2-enoyl)amino]propyl-prop-2-enoylamino]propyl]prop-2-enamide;N-methyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide;N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide;N-[2,4,5,5-tetramethyl-4-(prop-2-enoylamino)cyclohexyl]prop-2-enamide.

Molecular Properties

Compound NameN-benzyl-N-[4-[4-[benzyl(prop-2-enoyl)amino]butoxy]butyl]prop-2-enamide;N-benzyl-N-[2-[benzyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2,2-bis[(prop-2-enoylamino)methyl]butyl]prop-2-enamide;N-ethyl-N-[[4-[[ethyl(prop-2-enoyl)amino]methyl]cyclohexyl]methyl]prop-2-enamide;N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-[2-[(1-hydroxyprop-2-enylamino)methyl]-3-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]propyl]prop-2-enamide;N-methyl-N-[[4-[[methyl(prop-2-enoyl)amino]methyl]phenyl]methyl]prop-2-enamide;N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-methyl-N-[3-[3-[methyl(prop-2-enoyl)amino]propyl-prop-2-enoylamino]propyl]prop-2-enamide;N-methyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide;N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide;N-[2,4,5,5-tetramethyl-4-(prop-2-enoylamino)cyclohexyl]prop-2-enamide
PubChem CID163714073
Molecular FormulaC208H308N28O29
Molecular Weight3664.92 g/mol
Exact Mass3662.35
IUPAC NameN-benzyl-N-[4-[4-[benzyl(prop-2-enoyl)amino]butoxy]butyl]prop-2-enamide;N-benzyl-N-[2-[benzyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2,2-bis[(prop-2-enoylamino)methyl]butyl]prop-2-enamide;N-ethyl-N-[[4-[[ethyl(prop-2-enoyl)amino]methyl]cyclohexyl]methyl]prop-2-enamide;N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-[2-[(1-hydroxyprop-2-enylamino)methyl]-3-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]propyl]prop-2-enamide;N-methyl-N-[[4-[[methyl(prop-2-enoyl)amino]methyl]phenyl]methyl]prop-2-enamide;N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-methyl-N-[3-[3-[methyl(prop-2-enoyl)amino]propyl-prop-2-enoylamino]propyl]prop-2-enamide;N-methyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide;N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide;N-[2,4,5,5-tetramethyl-4-(prop-2-enoylamino)cyclohexyl]prop-2-enamide
SMILESC=CC(=O)N(C)CCC(C)(C)CC(C)CN(C)C(=O)C=C.C=CC(=O)N(C)CCCN(C)C(=O)C=C.C=CC(=O)N(C)CCCN(CCCN(C)C(=O)C=C)C(=O)C=C.C=CC(=O)N(C)Cc1ccc(CN(C)C(=O)C=C)cc1.C=CC(=O)N(CC)CC1CCC(CN(CC)C(=O)C=C)CC1.C=CC(=O)N(CC)CCCN(CC)C(=O)C=C.C=CC(=O)N(CCCCOCCCCN(Cc1ccccc1)C(=O)C=C)Cc1ccccc1.C=CC(=O)N(CCN(Cc1ccccc1)C(=O)C=C)Cc1ccccc1.C=CC(=O)NC1CC(C)(C)C(C)(NC(=O)C=C)CC1C.C=CC(=O)NCC(CC)(CNC(=O)C=C)CNC(=O)C=C.C=CC(=O)NCC(CNC(=O)C=C)(CNC(=O)C=C)CNC(O)C=C.C=CC(=O)NCC1CC2CC1C1CCC(CNC(=O)C=C)C21
InChIInChI=1S/C28H36N2O3.C22H24N2O2.C18H26N2O2.C18H30N2O2.C17H26N4O4.C17H27N3O3.C17H30N2O2.C16H26N2O2.C16H20N2O2.C15H23N3O3.C13H22N2O2.C11H18N2O2/c1-3-27(31)29(23-25-15-7-5-8-16-25)19-11-13-21-33-22-14-12-20-30(28(32)4-2)24-26-17-9-6-10-18-26;1-3-21(25)23(17-19-11-7-5-8-12-19)15-16-24(22(26)4-2)18-20-13-9-6-10-14-20;1-3-16(21)19-9-11-5-6-14-15-8-12(18(11)14)7-13(15)10-20-17(22)4-2;1-5-17(21)19(7-3)13-15-9-11-16(12-10-15)14-20(8-4)18(22)6-2;1-5-13(22)18-9-17(10-19-14(23)6-2,11-20-15(24)7-3)12-21-16(25)8-4;1-6-15(21)18(4)11-9-13-20(17(23)8-3)14-10-12-19(5)16(22)7-2;1-8-15(20)18(6)11-10-17(4,5)12-14(3)13-19(7)16(21)9-2;1-7-13(19)17-12-10-15(4,5)16(6,9-11(12)3)18-14(20)8-2;1-5-15(19)17(3)11-13-7-9-14(10-8-13)12-18(4)16(20)6-2;1-5-12(19)16-9-15(8-4,10-17-13(20)6-2)11-18-14(21)7-3;1-5-12(16)14(7-3)10-9-11-15(8-4)13(17)6-2;1-5-10(14)12(3)8-7-9-13(4)11(15)6-2/h3-10,15-18H,1-2,11-14,19-24H2;3-14H,1-2,15-18H2;3-4,11-15,18H,1-2,5-10H2,(H,19,21)(H,20,22);5-6,15-16H,1-2,7-14H2,3-4H3;5-8,13,18,22H,1-4,9-12H2,(H,19,23)(H,20,24)(H,21,25);6-8H,1-3,9-14H2,4-5H3;8-9,14H,1-2,10-13H2,3-7H3;7-8,11-12H,1-2,9-10H2,3-6H3,(H,17,19)(H,18,20);5-10H,1-2,11-12H2,3-4H3;5-7H,1-3,8-11H2,4H3,(H,16,19)(H,17,20)(H,18,21);5-6H,1-2,7-11H2,3-4H3;5-6H,1-2,7-9H2,3-4H3
InChIKeyKLUPSDGYCHGUQK-UHFFFAOYSA-N
XLogP22.47
TPSA677.76 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds106
Heavy Atoms265
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003664.92
LogP ≤ 522.47
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-benzyl-N-[4-[4-[benzyl(prop-2-enoyl)amino]butoxy]butyl]prop-2-enamide;N-benzyl-N-[2-[benzyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2,2-bis[(prop-2-enoylamino)methyl]butyl]prop-2-enamide;N-ethyl-N-[[4-[[ethyl(prop-2-enoyl)amino]methyl]cyclohexyl]methyl]prop-2-enamide;N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-[2-[(1-hydroxyprop-2-enylamino)methyl]-3-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]propyl]prop-2-enamide;N-methyl-N-[[4-[[methyl(prop-2-enoyl)amino]methyl]phenyl]methyl]prop-2-enamide;N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-methyl-N-[3-[3-[methyl(prop-2-enoyl)amino]propyl-prop-2-enoylamino]propyl]prop-2-enamide;N-methyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide;N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide;N-[2,4,5,5-tetramethyl-4-(prop-2-enoylamino)cyclohexyl]prop-2-enamide with MolForge

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Related Compounds

N-benzyl-N-heptylprop-2-enamide;N-[2,2-bis[(prop-2-enoylamino)methyl]butyl]prop-2-enamide;N-butyl-N-cyclohexylprop-2-enamide;N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-heptyl-N-methylprop-2-enamide;N-[2-[(1-hydroxyprop-2-enylamino)methyl]-3-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]propyl]prop-2-enamide;N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-methyl-N-[3-[3-[methyl(prop-2-enoyl)amino]propyl-prop-2-enoylamino]propyl]prop-2-enamide;N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide;N-[(E)-4-[prop-2-enoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide
CID 163938810
N-benzyl-N-heptyl-2-methylprop-2-enamide;N-[2,2-bis[(2-methylprop-2-enoylamino)methyl]butyl]-2-methylprop-2-enamide;N-butyl-N-cyclohexyl-2-methylprop-2-enamide;N,N-diethyl-2-methylprop-2-enamide;N,2-dimethyl-N-[[4-[[methyl(2-methylprop-2-enoyl)amino]methyl]phenyl]methyl]prop-2-enamide;N,2-dimethyl-N-[3-[3-[methyl(2-methylprop-2-enoyl)amino]propyl-(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide;N,2-dimethyl-N-[3-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide;N,2-dimethyl-N-[3,3,5-trimethyl-6-[methyl(2-methylprop-2-enoyl)amino]hexyl]prop-2-enamide;N-ethyl-N-[[4-[[ethyl(2-methylprop-2-enoyl)amino]methyl]cyclohexyl]methyl]-2-methylprop-2-enamide;N-ethyl-N-[3-[ethyl(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide;N-heptyl-N,2-dimethylprop-2-enamide;N-[2-[[(1-hydroxy-2-methylprop-2-enyl)amino]methyl]-3-(2-methylprop-2-enoylamino)-2-[(2-methylprop-2-enoylamino)methyl]propyl]-2-methylprop-2-enamide;2-methyl-N-[[8-[(2-methylprop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide;2-methyl-N-[(E)-4-[2-methylprop-2-enoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide;2-methyl-N-octadecylprop-2-enamide
CID 158413536
N-benzyl-N-pentylprop-2-enamide
CID 176825792
N-(1-adamantyl)-N-ethylprop-2-enamide;N-benzyl-N-heptylprop-2-enamide;N-butyl-N-cyclohexylprop-2-enamide;N,N-diethylprop-2-enamide;N-heptyl-N-methylprop-2-enamide;N-methyl-N-(1-phenylethyl)prop-2-enamide;1-morpholin-4-ylprop-2-en-1-one;N-octadecylprop-2-enamide;1-piperidin-1-ylprop-2-en-1-one;N-[(E)-4-[prop-2-enoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide
CID 163980803
N-methyl-N-(4-phenylbutyl)prop-2-enamide
CID 60949708
N-benzyl-N-(cyclopropylmethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 3346658
N-methyl-N-[[4-(4-pentylcyclohexyl)phenyl]methyl]prop-2-enamide
CID 134245404
(2Z,4E)-N'-ethyl-N'-[3-[ethyl(prop-2-enoyl)amino]propyl]-N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]hexa-2,4-dienediamide
CID 135296269
N-methyl-N-[3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide
CID 134245407
N-[2-[8-[2-(prop-2-enoylamino)ethyl]-3-tricyclo[5.2.1.02,6]decanyl]ethyl]prop-2-enamide
CID 135273156
N-methyl-N-[3-[4-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]phenyl]propyl]prop-2-enamide
CID 134245513
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide
CID 43616660

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-[4-[benzyl(prop-2-enoyl)amino]butoxy]butyl]prop-2-enamide;N-benzyl-N-[2-[benzyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2,2-bis[(prop-2-enoylamino)methyl]butyl]prop-2-enamide;N-ethyl-N-[[4-[[ethyl(prop-2-enoyl)amino]methyl]cyclohexyl]methyl]prop-2-enamide;N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-[2-[(1-hydroxyprop-2-enylamino)methyl]-3-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]propyl]prop-2-enamide;N-methyl-N-[[4-[[methyl(prop-2-enoyl)amino]methyl]phenyl]methyl]prop-2-enamide;N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-methyl-N-[3-[3-[methyl(prop-2-enoyl)amino]propyl-prop-2-enoylamino]propyl]prop-2-enamide;N-methyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide;N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide;N-[2,4,5,5-tetramethyl-4-(prop-2-enoylamino)cyclohexyl]prop-2-enamide?
The IUPAC name of N-benzyl-N-[4-[4-[benzyl(prop-2-enoyl)amino]butoxy]butyl]prop-2-enamide;N-benzyl-N-[2-[benzyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2,2-bis[(prop-2-enoylamino)methyl]butyl]prop-2-enamide;N-ethyl-N-[[4-[[ethyl(prop-2-enoyl)amino]methyl]cyclohexyl]methyl]prop-2-enamide;N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-[2-[(1-hydroxyprop-2-enylamino)methyl]-3-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]propyl]prop-2-enamide;N-methyl-N-[[4-[[methyl(prop-2-enoyl)amino]methyl]phenyl]methyl]prop-2-enamide;N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-methyl-N-[3-[3-[methyl(prop-2-enoyl)amino]propyl-prop-2-enoylamino]propyl]prop-2-enamide;N-methyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide;N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide;N-[2,4,5,5-tetramethyl-4-(prop-2-enoylamino)cyclohexyl]prop-2-enamide (CID 163714073) is N-benzyl-N-[4-[4-[benzyl(prop-2-enoyl)amino]butoxy]butyl]prop-2-enamide;N-benzyl-N-[2-[benzyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2,2-bis[(prop-2-enoylamino)methyl]butyl]prop-2-enamide;N-ethyl-N-[[4-[[ethyl(prop-2-enoyl)amino]methyl]cyclohexyl]methyl]prop-2-enamide;N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-[2-[(1-hydroxyprop-2-enylamino)methyl]-3-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]propyl]prop-2-enamide;N-methyl-N-[[4-[[methyl(prop-2-enoyl)amino]methyl]phenyl]methyl]prop-2-enamide;N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-methyl-N-[3-[3-[methyl(prop-2-enoyl)amino]propyl-prop-2-enoylamino]propyl]prop-2-enamide;N-methyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide;N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide;N-[2,4,5,5-tetramethyl-4-(prop-2-enoylamino)cyclohexyl]prop-2-enamide.
What is the SMILES notation for N-benzyl-N-[4-[4-[benzyl(prop-2-enoyl)amino]butoxy]butyl]prop-2-enamide;N-benzyl-N-[2-[benzyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2,2-bis[(prop-2-enoylamino)methyl]butyl]prop-2-enamide;N-ethyl-N-[[4-[[ethyl(prop-2-enoyl)amino]methyl]cyclohexyl]methyl]prop-2-enamide;N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-[2-[(1-hydroxyprop-2-enylamino)methyl]-3-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]propyl]prop-2-enamide;N-methyl-N-[[4-[[methyl(prop-2-enoyl)amino]methyl]phenyl]methyl]prop-2-enamide;N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-methyl-N-[3-[3-[methyl(prop-2-enoyl)amino]propyl-prop-2-enoylamino]propyl]prop-2-enamide;N-methyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide;N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide;N-[2,4,5,5-tetramethyl-4-(prop-2-enoylamino)cyclohexyl]prop-2-enamide?
The canonical SMILES for N-benzyl-N-[4-[4-[benzyl(prop-2-enoyl)amino]butoxy]butyl]prop-2-enamide;N-benzyl-N-[2-[benzyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2,2-bis[(prop-2-enoylamino)methyl]butyl]prop-2-enamide;N-ethyl-N-[[4-[[ethyl(prop-2-enoyl)amino]methyl]cyclohexyl]methyl]prop-2-enamide;N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-[2-[(1-hydroxyprop-2-enylamino)methyl]-3-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]propyl]prop-2-enamide;N-methyl-N-[[4-[[methyl(prop-2-enoyl)amino]methyl]phenyl]methyl]prop-2-enamide;N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-methyl-N-[3-[3-[methyl(prop-2-enoyl)amino]propyl-prop-2-enoylamino]propyl]prop-2-enamide;N-methyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide;N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide;N-[2,4,5,5-tetramethyl-4-(prop-2-enoylamino)cyclohexyl]prop-2-enamide is C=CC(=O)N(C)CCC(C)(C)CC(C)CN(C)C(=O)C=C.C=CC(=O)N(C)CCCN(C)C(=O)C=C.C=CC(=O)N(C)CCCN(CCCN(C)C(=O)C=C)C(=O)C=C.C=CC(=O)N(C)Cc1ccc(CN(C)C(=O)C=C)cc1.C=CC(=O)N(CC)CC1CCC(CN(CC)C(=O)C=C)CC1.C=CC(=O)N(CC)CCCN(CC)C(=O)C=C.C=CC(=O)N(CCCCOCCCCN(Cc1ccccc1)C(=O)C=C)Cc1ccccc1.C=CC(=O)N(CCN(Cc1ccccc1)C(=O)C=C)Cc1ccccc1.C=CC(=O)NC1CC(C)(C)C(C)(NC(=O)C=C)CC1C.C=CC(=O)NCC(CC)(CNC(=O)C=C)CNC(=O)C=C.C=CC(=O)NCC(CNC(=O)C=C)(CNC(=O)C=C)CNC(O)C=C.C=CC(=O)NCC1CC2CC1C1CCC(CNC(=O)C=C)C21.
What is the InChIKey of N-benzyl-N-[4-[4-[benzyl(prop-2-enoyl)amino]butoxy]butyl]prop-2-enamide;N-benzyl-N-[2-[benzyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2,2-bis[(prop-2-enoylamino)methyl]butyl]prop-2-enamide;N-ethyl-N-[[4-[[ethyl(prop-2-enoyl)amino]methyl]cyclohexyl]methyl]prop-2-enamide;N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-[2-[(1-hydroxyprop-2-enylamino)methyl]-3-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]propyl]prop-2-enamide;N-methyl-N-[[4-[[methyl(prop-2-enoyl)amino]methyl]phenyl]methyl]prop-2-enamide;N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-methyl-N-[3-[3-[methyl(prop-2-enoyl)amino]propyl-prop-2-enoylamino]propyl]prop-2-enamide;N-methyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide;N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide;N-[2,4,5,5-tetramethyl-4-(prop-2-enoylamino)cyclohexyl]prop-2-enamide?
The InChIKey is KLUPSDGYCHGUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O3.C22H24N2O2.C18H26N2O2.C18H30N2O2.C17H26N4O4.C17H27N3O3.C17H30N2O2.C16H26N2O2.C16H20N2O2.C15H23N3O3.C13H22N2O2.C11H18N2O2/c1-3-27(31)29(23-25-15-7-5-8-16-25)19-11-13-21-33-22-14-12-20-30(28(32)4-2)24-26-17-9-6-10-18-26;1-3-21(25)23(17-19-11-7-5-8-12-19)15-16-24(22(26)4-2)18-20-13-9-6-10-14-20;1-3-16(21)19-9-11-5-6-14-15-8-12(18(11)14)7-13(15)10-20-17(22)4-2;1-5-17(21)19(7-3)13-15-9-11-16(12-10-15)14-20(8-4)18(22)6-2;1-5-13(22)18-9-17(10-19-14(23)6-2,11-20-15(24)7-3)12-21-16(25)8-4;1-6-15(21)18(4)11-9-13-20(17(23)8-3)14-10-12-19(5)16(22)7-2;1-8-15(20)18(6)11-10-17(4,5)12-14(3)13-19(7)16(21)9-2;1-7-13(19)17-12-10-15(4,5)16(6,9-11(12)3)18-14(20)8-2;1-5-15(19)17(3)11-13-7-9-14(10-8-13)12-18(4)16(20)6-2;1-5-12(19)16-9-15(8-4,10-17-13(20)6-2)11-18-14(21)7-3;1-5-12(16)14(7-3)10-9-11-15(8-4)13(17)6-2;1-5-10(14)12(3)8-7-9-13(4)11(15)6-2/h3-10,15-18H,1-2,11-14,19-24H2;3-14H,1-2,15-18H2;3-4,11-15,18H,1-2,5-10H2,(H,19,21)(H,20,22);5-6,15-16H,1-2,7-14H2,3-4H3;5-8,13,18,22H,1-4,9-12H2,(H,19,23)(H,20,24)(H,21,25);6-8H,1-3,9-14H2,4-5H3;8-9,14H,1-2,10-13H2,3-7H3;7-8,11-12H,1-2,9-10H2,3-6H3,(H,17,19)(H,18,20);5-10H,1-2,11-12H2,3-4H3;5-7H,1-3,8-11H2,4H3,(H,16,19)(H,17,20)(H,18,21);5-6H,1-2,7-11H2,3-4H3;5-6H,1-2,7-9H2,3-4H3.
What are the key properties of N-benzyl-N-[4-[4-[benzyl(prop-2-enoyl)amino]butoxy]butyl]prop-2-enamide;N-benzyl-N-[2-[benzyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2,2-bis[(prop-2-enoylamino)methyl]butyl]prop-2-enamide;N-ethyl-N-[[4-[[ethyl(prop-2-enoyl)amino]methyl]cyclohexyl]methyl]prop-2-enamide;N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-[2-[(1-hydroxyprop-2-enylamino)methyl]-3-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]propyl]prop-2-enamide;N-methyl-N-[[4-[[methyl(prop-2-enoyl)amino]methyl]phenyl]methyl]prop-2-enamide;N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-methyl-N-[3-[3-[methyl(prop-2-enoyl)amino]propyl-prop-2-enoylamino]propyl]prop-2-enamide;N-methyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide;N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide;N-[2,4,5,5-tetramethyl-4-(prop-2-enoylamino)cyclohexyl]prop-2-enamide?
N-benzyl-N-[4-[4-[benzyl(prop-2-enoyl)amino]butoxy]butyl]prop-2-enamide;N-benzyl-N-[2-[benzyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2,2-bis[(prop-2-enoylamino)methyl]butyl]prop-2-enamide;N-ethyl-N-[[4-[[ethyl(prop-2-enoyl)amino]methyl]cyclohexyl]methyl]prop-2-enamide;N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-[2-[(1-hydroxyprop-2-enylamino)methyl]-3-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]propyl]prop-2-enamide;N-methyl-N-[[4-[[methyl(prop-2-enoyl)amino]methyl]phenyl]methyl]prop-2-enamide;N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-methyl-N-[3-[3-[methyl(prop-2-enoyl)amino]propyl-prop-2-enoylamino]propyl]prop-2-enamide;N-methyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide;N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide;N-[2,4,5,5-tetramethyl-4-(prop-2-enoylamino)cyclohexyl]prop-2-enamide has a molecular weight of 3664.92 g/mol, XLogP of 22.47, 106 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-[4-[benzyl(prop-2-enoyl)amino]butoxy]butyl]prop-2-enamide;N-benzyl-N-[2-[benzyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2,2-bis[(prop-2-enoylamino)methyl]butyl]prop-2-enamide;N-ethyl-N-[[4-[[ethyl(prop-2-enoyl)amino]methyl]cyclohexyl]methyl]prop-2-enamide;N-ethyl-N-[3-[ethyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-[2-[(1-hydroxyprop-2-enylamino)methyl]-3-(prop-2-enoylamino)-2-[(prop-2-enoylamino)methyl]propyl]prop-2-enamide;N-methyl-N-[[4-[[methyl(prop-2-enoyl)amino]methyl]phenyl]methyl]prop-2-enamide;N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide;N-methyl-N-[3-[3-[methyl(prop-2-enoyl)amino]propyl-prop-2-enoylamino]propyl]prop-2-enamide;N-methyl-N-[3,3,5-trimethyl-6-[methyl(prop-2-enoyl)amino]hexyl]prop-2-enamide;N-[[8-[(prop-2-enoylamino)methyl]-3-tricyclo[5.2.1.02,6]decanyl]methyl]prop-2-enamide;N-[2,4,5,5-tetramethyl-4-(prop-2-enoylamino)cyclohexyl]prop-2-enamide is sourced from PubChem (CID 163714073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).