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

C148H233N21O21 — CID 163938810

IUPACN-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
SMILESC=CC(=O)N(C)CCCCCCC.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(CC)CCCN(CC)C(=O)C=C.C=CC(=O)N(CCCC)C1CCCCC1.C=CC(=O)N(CCCCCCC)Cc1ccccc1.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.C=CCN(C/C=C/CN(CC=C)C(=O)C=C)C(=O)C=C
InChIInChI=1S/C18H26N2O2.C17H26N4O4.C17H27N3O3.C17H25NO.C16H22N2O2.C15H23N3O3.C13H22N2O2.C13H23NO.C11H18N2O2.C11H21NO/c1-3-16(21)19-9-11-5-6-14-15-8-12(18(11)14)7-13(15)10-20-17(22)4-2;1-5-13(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;1-3-5-6-7-11-14-18(17(19)4-2)15-16-12-9-8-10-13-16;1-5-11-17(15(19)7-3)13-9-10-14-18(12-6-2)16(20)8-4;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;1-3-5-11-14(13(15)4-2)12-9-7-6-8-10-12;1-5-10(14)12(3)8-7-9-13(4)11(15)6-2;1-4-6-7-8-9-10-12(3)11(13)5-2/h3-4,11-15,18H,1-2,5-10H2,(H,19,21)(H,20,22);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;4,8-10,12-13H,2-3,5-7,11,14-15H2,1H3;5-10H,1-4,11-14H2;5-7H,1-3,8-11H2,4H3,(H,16,19)(H,17,20)(H,18,21);5-6H,1-2,7-11H2,3-4H3;4,12H,2-3,5-11H2,1H3;5-6H,1-2,7-9H2,3-4H3;5H,2,4,6-10H2,1,3H3/b;;;;10-9+;;;;;
InChIKeyRPEGJTCIIYFJOL-OLWMTEDRSA-N
MW2642.62 g/mol
LogP16.18
Rot. Bonds85

About 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

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 (PubChem CID 163938810) has the molecular formula C148H233N21O21 and a molecular weight of 2642.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID163938810
Molecular FormulaC148H233N21O21
Molecular Weight2642.62 g/mol
Exact Mass2640.78
IUPAC NameN-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
SMILESC=CC(=O)N(C)CCCCCCC.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(CC)CCCN(CC)C(=O)C=C.C=CC(=O)N(CCCC)C1CCCCC1.C=CC(=O)N(CCCCCCC)Cc1ccccc1.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.C=CCN(C/C=C/CN(CC=C)C(=O)C=C)C(=O)C=C
InChIInChI=1S/C18H26N2O2.C17H26N4O4.C17H27N3O3.C17H25NO.C16H22N2O2.C15H23N3O3.C13H22N2O2.C13H23NO.C11H18N2O2.C11H21NO/c1-3-16(21)19-9-11-5-6-14-15-8-12(18(11)14)7-13(15)10-20-17(22)4-2;1-5-13(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;1-3-5-6-7-11-14-18(17(19)4-2)15-16-12-9-8-10-13-16;1-5-11-17(15(19)7-3)13-9-10-14-18(12-6-2)16(20)8-4;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;1-3-5-11-14(13(15)4-2)12-9-7-6-8-10-12;1-5-10(14)12(3)8-7-9-13(4)11(15)6-2;1-4-6-7-8-9-10-12(3)11(13)5-2/h3-4,11-15,18H,1-2,5-10H2,(H,19,21)(H,20,22);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;4,8-10,12-13H,2-3,5-7,11,14-15H2,1H3;5-10H,1-4,11-14H2;5-7H,1-3,8-11H2,4H3,(H,16,19)(H,17,20)(H,18,21);5-6H,1-2,7-11H2,3-4H3;4,12H,2-3,5-11H2,1H3;5-6H,1-2,7-9H2,3-4H3;5H,2,4,6-10H2,1,3H3/b;;;;10-9+;;;;;
InChIKeyRPEGJTCIIYFJOL-OLWMTEDRSA-N
XLogP16.18
TPSA508.78 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds85
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002642.62
LogP ≤ 516.18
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

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-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 with MolForge

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Related Compounds

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-[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
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
(E)-N-butyl-N-cyclohexyl-9-[methyl-[(2Z,4Z)-6-[prop-2-enoyl-[(E)-4-[prop-2-enoyl(prop-2-enyl)amino]but-2-enyl]amino]hexa-2,4-dienoyl]amino]non-2-enamide
CID 155201473
(E)-N-butyl-N-cyclohexyl-10-[methyl-[(2Z,4Z)-6-[prop-2-enoyl-[(E)-4-[prop-2-enoyl(prop-2-enyl)amino]but-2-enyl]amino]hexa-2,4-dienoyl]amino]dec-2-enamide
CID 135296267
N-benzyl-N-pentylprop-2-enamide
CID 176825792
N-methyl-N-(4-phenylbutyl)prop-2-enamide
CID 60949708
4-bromo-N-cyclohexyl-N-hexylbenzamide
CID 54086681
N-[2-[8-[2-(prop-2-enoylamino)ethyl]-3-tricyclo[5.2.1.02,6]decanyl]ethyl]prop-2-enamide
CID 135273156
N-[2-[(1-benzylpyrrol-2-yl)methyl-cyclohexylamino]-2-oxoethyl]-N-pentylbenzamide
CID 3961367
N-benzyl-N-cyclopropylprop-2-enamide
CID 43616578
N-decyl-N-ethylprop-2-enamide;hydrazine
CID 158315253

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC(=O)N(C)CCCCCCC.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(CC)CCCN(CC)C(=O)C=C.C=CC(=O)N(CCCC)C1CCCCC1.C=CC(=O)N(CCCCCCC)Cc1ccccc1.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.C=CCN(C/C=C/CN(CC=C)C(=O)C=C)C(=O)C=C.
What is the InChIKey of 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?
The InChIKey is RPEGJTCIIYFJOL-OLWMTEDRSA-N. The full InChI is InChI=1S/C18H26N2O2.C17H26N4O4.C17H27N3O3.C17H25NO.C16H22N2O2.C15H23N3O3.C13H22N2O2.C13H23NO.C11H18N2O2.C11H21NO/c1-3-16(21)19-9-11-5-6-14-15-8-12(18(11)14)7-13(15)10-20-17(22)4-2;1-5-13(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;1-3-5-6-7-11-14-18(17(19)4-2)15-16-12-9-8-10-13-16;1-5-11-17(15(19)7-3)13-9-10-14-18(12-6-2)16(20)8-4;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;1-3-5-11-14(13(15)4-2)12-9-7-6-8-10-12;1-5-10(14)12(3)8-7-9-13(4)11(15)6-2;1-4-6-7-8-9-10-12(3)11(13)5-2/h3-4,11-15,18H,1-2,5-10H2,(H,19,21)(H,20,22);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;4,8-10,12-13H,2-3,5-7,11,14-15H2,1H3;5-10H,1-4,11-14H2;5-7H,1-3,8-11H2,4H3,(H,16,19)(H,17,20)(H,18,21);5-6H,1-2,7-11H2,3-4H3;4,12H,2-3,5-11H2,1H3;5-6H,1-2,7-9H2,3-4H3;5H,2,4,6-10H2,1,3H3/b;;;;10-9+;;;;;.
What are the key properties of 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?
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 has a molecular weight of 2642.62 g/mol, XLogP of 16.18, 85 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163938810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).