N-butyl-N-cyclohexyl-2-methylprop-2-enamide;N,2-dimethyl-N-[3-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-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]-2-[(2-methylprop-2-enoylamino)methyl]-3-(prop-2-enoylamino)propyl]-2-methylprop-2-enamide;N-[2-[[(1-hydroxy-2-methylprop-2-enyl)amino]methyl]-2-[(prop-2-enoylamino)methyl]butyl]-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-enylpropanamide

C129H215N17O17 — CID 159165808

IUPACN-butyl-N-cyclohexyl-2-methylprop-2-enamide;N,2-dimethyl-N-[3-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-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]-2-[(2-methylprop-2-enoylamino)methyl]-3-(prop-2-enoylamino)propyl]-2-methylprop-2-enamide;N-[2-[[(1-hydroxy-2-methylprop-2-enyl)amino]methyl]-2-[(prop-2-enoylamino)methyl]butyl]-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-enylpropanamide
SMILESC=C(C)C(=O)N(C)CCCCCCC.C=C(C)C(=O)N(C)CCCN(C)C(=O)C(=C)C.C=C(C)C(=O)N(CC)CCCN(CC)C(=O)C(=C)C.C=C(C)C(=O)N(CCCC)C1CCCCC1.C=C(C)C(=O)NCC1CC2CC1C1CCC(CNC(=O)C(=C)C)C21.C=CC(=O)NCC(CC)(CNC(=O)C(=C)C)CNC(O)C(=C)C.C=CC(=O)NCC(CNC(=O)C(=C)C)(CNC(=O)C(=C)C)CNC(O)C(=C)C.C=CCN(C/C=C/CN(CC=C)C(=O)C(C)C)C(=O)C(=C)C
InChIInChI=1S/C20H32N4O4.C20H30N2O2.C18H28N2O2.C17H29N3O3.C15H26N2O2.C14H25NO.C13H22N2O2.C12H23NO/c1-8-16(25)21-9-20(10-22-17(26)13(2)3,11-23-18(27)14(4)5)12-24-19(28)15(6)7;1-11(2)19(23)21-9-13-5-6-16-17-8-14(18(13)16)7-15(17)10-22-20(24)12(3)4;1-7-11-19(17(21)15(3)4)13-9-10-14-20(12-8-2)18(22)16(5)6;1-7-14(21)18-9-17(8-2,10-19-15(22)12(3)4)11-20-16(23)13(5)6;1-7-16(14(18)12(3)4)10-9-11-17(8-2)15(19)13(5)6;1-4-5-11-15(14(16)12(2)3)13-9-7-6-8-10-13;1-10(2)12(16)14(5)8-7-9-15(6)13(17)11(3)4;1-5-6-7-8-9-10-13(4)12(14)11(2)3/h8,17,22,26H,1-2,4,6,9-12H2,3,5,7H3,(H,21,25)(H,23,27)(H,24,28);13-18H,1,3,5-10H2,2,4H3,(H,21,23)(H,22,24);7-10,16H,1-3,11-14H2,4-6H3;7,15,19,22H,1,3,5,8-11H2,2,4,6H3,(H,18,21)(H,20,23);3,5,7-11H2,1-2,4,6H3;13H,2,4-11H2,1,3H3;1,3,7-9H2,2,4-6H3;2,5-10H2,1,3-4H3/b;;10-9+;;;;;
InChIKeyKLBCKHCJYNTTKK-ZZCLNQJOSA-N
MW2276.24 g/mol
LogP16.66
Rot. Bonds66

About N-butyl-N-cyclohexyl-2-methylprop-2-enamide;N,2-dimethyl-N-[3-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-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]-2-[(2-methylprop-2-enoylamino)methyl]-3-(prop-2-enoylamino)propyl]-2-methylprop-2-enamide;N-[2-[[(1-hydroxy-2-methylprop-2-enyl)amino]methyl]-2-[(prop-2-enoylamino)methyl]butyl]-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-enylpropanamide

N-butyl-N-cyclohexyl-2-methylprop-2-enamide;N,2-dimethyl-N-[3-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-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]-2-[(2-methylprop-2-enoylamino)methyl]-3-(prop-2-enoylamino)propyl]-2-methylprop-2-enamide;N-[2-[[(1-hydroxy-2-methylprop-2-enyl)amino]methyl]-2-[(prop-2-enoylamino)methyl]butyl]-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-enylpropanamide (PubChem CID 159165808) has the molecular formula C129H215N17O17 and a molecular weight of 2276.24 g/mol. Its IUPAC name is N-butyl-N-cyclohexyl-2-methylprop-2-enamide;N,2-dimethyl-N-[3-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-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]-2-[(2-methylprop-2-enoylamino)methyl]-3-(prop-2-enoylamino)propyl]-2-methylprop-2-enamide;N-[2-[[(1-hydroxy-2-methylprop-2-enyl)amino]methyl]-2-[(prop-2-enoylamino)methyl]butyl]-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-enylpropanamide.

Molecular Properties

Compound NameN-butyl-N-cyclohexyl-2-methylprop-2-enamide;N,2-dimethyl-N-[3-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-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]-2-[(2-methylprop-2-enoylamino)methyl]-3-(prop-2-enoylamino)propyl]-2-methylprop-2-enamide;N-[2-[[(1-hydroxy-2-methylprop-2-enyl)amino]methyl]-2-[(prop-2-enoylamino)methyl]butyl]-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-enylpropanamide
PubChem CID159165808
Molecular FormulaC129H215N17O17
Molecular Weight2276.24 g/mol
Exact Mass2274.65
IUPAC NameN-butyl-N-cyclohexyl-2-methylprop-2-enamide;N,2-dimethyl-N-[3-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-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]-2-[(2-methylprop-2-enoylamino)methyl]-3-(prop-2-enoylamino)propyl]-2-methylprop-2-enamide;N-[2-[[(1-hydroxy-2-methylprop-2-enyl)amino]methyl]-2-[(prop-2-enoylamino)methyl]butyl]-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-enylpropanamide
SMILESC=C(C)C(=O)N(C)CCCCCCC.C=C(C)C(=O)N(C)CCCN(C)C(=O)C(=C)C.C=C(C)C(=O)N(CC)CCCN(CC)C(=O)C(=C)C.C=C(C)C(=O)N(CCCC)C1CCCCC1.C=C(C)C(=O)NCC1CC2CC1C1CCC(CNC(=O)C(=C)C)C21.C=CC(=O)NCC(CC)(CNC(=O)C(=C)C)CNC(O)C(=C)C.C=CC(=O)NCC(CNC(=O)C(=C)C)(CNC(=O)C(=C)C)CNC(O)C(=C)C.C=CCN(C/C=C/CN(CC=C)C(=O)C(C)C)C(=O)C(=C)C
InChIInChI=1S/C20H32N4O4.C20H30N2O2.C18H28N2O2.C17H29N3O3.C15H26N2O2.C14H25NO.C13H22N2O2.C12H23NO/c1-8-16(25)21-9-20(10-22-17(26)13(2)3,11-23-18(27)14(4)5)12-24-19(28)15(6)7;1-11(2)19(23)21-9-13-5-6-16-17-8-14(18(13)16)7-15(17)10-22-20(24)12(3)4;1-7-11-19(17(21)15(3)4)13-9-10-14-20(12-8-2)18(22)16(5)6;1-7-14(21)18-9-17(8-2,10-19-15(22)12(3)4)11-20-16(23)13(5)6;1-7-16(14(18)12(3)4)10-9-11-17(8-2)15(19)13(5)6;1-4-5-11-15(14(16)12(2)3)13-9-7-6-8-10-13;1-10(2)12(16)14(5)8-7-9-15(6)13(17)11(3)4;1-5-6-7-8-9-10-13(4)12(14)11(2)3/h8,17,22,26H,1-2,4,6,9-12H2,3,5,7H3,(H,21,25)(H,23,27)(H,24,28);13-18H,1,3,5-10H2,2,4H3,(H,21,23)(H,22,24);7-10,16H,1-3,11-14H2,4-6H3;7,15,19,22H,1,3,5,8-11H2,2,4,6H3,(H,18,21)(H,20,23);3,5,7-11H2,1-2,4,6H3;13H,2,4-11H2,1,3H3;1,3,7-9H2,2,4-6H3;2,5-10H2,1,3-4H3/b;;10-9+;;;;;
InChIKeyKLBCKHCJYNTTKK-ZZCLNQJOSA-N
XLogP16.66
TPSA430.70 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds66
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002276.24
LogP ≤ 516.66
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

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-butyl-N-cyclohexyl-2-methylprop-2-enamide;N,2-dimethyl-N-[3-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-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]-2-[(2-methylprop-2-enoylamino)methyl]-3-(prop-2-enoylamino)propyl]-2-methylprop-2-enamide;N-[2-[[(1-hydroxy-2-methylprop-2-enyl)amino]methyl]-2-[(prop-2-enoylamino)methyl]butyl]-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-enylpropanamide 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-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
(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,2-dimethyl-N-tetracosylprop-2-enamide
CID 87262023
N-[2-[8-[2-(prop-2-enoylamino)ethyl]-3-tricyclo[5.2.1.02,6]decanyl]ethyl]prop-2-enamide
CID 135273156
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
(2E,4E)-N-[3-[[(2E,4E)-6-[ethyl-[3-[ethyl(prop-2-enoyl)amino]propyl]amino]-2-methyl-6-oxohexa-2,4-dienoyl]-methylamino]propyl]-N'-heptyl-N,N',2,5-tetramethylhexa-2,4-dienediamide
CID 131967207
N-butyl-N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 174975704
N-butyl-2-methyl-N-octylprop-2-enamide
CID 20743986
N-butyl-2-methyl-N-pentylprop-2-enamide
CID 87098831
2-methyl-N-[(E)-4-[2-oxopropanoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide
CID 155454680

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclohexyl-2-methylprop-2-enamide;N,2-dimethyl-N-[3-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-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]-2-[(2-methylprop-2-enoylamino)methyl]-3-(prop-2-enoylamino)propyl]-2-methylprop-2-enamide;N-[2-[[(1-hydroxy-2-methylprop-2-enyl)amino]methyl]-2-[(prop-2-enoylamino)methyl]butyl]-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-enylpropanamide?
The IUPAC name of N-butyl-N-cyclohexyl-2-methylprop-2-enamide;N,2-dimethyl-N-[3-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-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]-2-[(2-methylprop-2-enoylamino)methyl]-3-(prop-2-enoylamino)propyl]-2-methylprop-2-enamide;N-[2-[[(1-hydroxy-2-methylprop-2-enyl)amino]methyl]-2-[(prop-2-enoylamino)methyl]butyl]-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-enylpropanamide (CID 159165808) is N-butyl-N-cyclohexyl-2-methylprop-2-enamide;N,2-dimethyl-N-[3-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-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]-2-[(2-methylprop-2-enoylamino)methyl]-3-(prop-2-enoylamino)propyl]-2-methylprop-2-enamide;N-[2-[[(1-hydroxy-2-methylprop-2-enyl)amino]methyl]-2-[(prop-2-enoylamino)methyl]butyl]-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-enylpropanamide.
What is the SMILES notation for N-butyl-N-cyclohexyl-2-methylprop-2-enamide;N,2-dimethyl-N-[3-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-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]-2-[(2-methylprop-2-enoylamino)methyl]-3-(prop-2-enoylamino)propyl]-2-methylprop-2-enamide;N-[2-[[(1-hydroxy-2-methylprop-2-enyl)amino]methyl]-2-[(prop-2-enoylamino)methyl]butyl]-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-enylpropanamide?
The canonical SMILES for N-butyl-N-cyclohexyl-2-methylprop-2-enamide;N,2-dimethyl-N-[3-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-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]-2-[(2-methylprop-2-enoylamino)methyl]-3-(prop-2-enoylamino)propyl]-2-methylprop-2-enamide;N-[2-[[(1-hydroxy-2-methylprop-2-enyl)amino]methyl]-2-[(prop-2-enoylamino)methyl]butyl]-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-enylpropanamide is C=C(C)C(=O)N(C)CCCCCCC.C=C(C)C(=O)N(C)CCCN(C)C(=O)C(=C)C.C=C(C)C(=O)N(CC)CCCN(CC)C(=O)C(=C)C.C=C(C)C(=O)N(CCCC)C1CCCCC1.C=C(C)C(=O)NCC1CC2CC1C1CCC(CNC(=O)C(=C)C)C21.C=CC(=O)NCC(CC)(CNC(=O)C(=C)C)CNC(O)C(=C)C.C=CC(=O)NCC(CNC(=O)C(=C)C)(CNC(=O)C(=C)C)CNC(O)C(=C)C.C=CCN(C/C=C/CN(CC=C)C(=O)C(C)C)C(=O)C(=C)C.
What is the InChIKey of N-butyl-N-cyclohexyl-2-methylprop-2-enamide;N,2-dimethyl-N-[3-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-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]-2-[(2-methylprop-2-enoylamino)methyl]-3-(prop-2-enoylamino)propyl]-2-methylprop-2-enamide;N-[2-[[(1-hydroxy-2-methylprop-2-enyl)amino]methyl]-2-[(prop-2-enoylamino)methyl]butyl]-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-enylpropanamide?
The InChIKey is KLBCKHCJYNTTKK-ZZCLNQJOSA-N. The full InChI is InChI=1S/C20H32N4O4.C20H30N2O2.C18H28N2O2.C17H29N3O3.C15H26N2O2.C14H25NO.C13H22N2O2.C12H23NO/c1-8-16(25)21-9-20(10-22-17(26)13(2)3,11-23-18(27)14(4)5)12-24-19(28)15(6)7;1-11(2)19(23)21-9-13-5-6-16-17-8-14(18(13)16)7-15(17)10-22-20(24)12(3)4;1-7-11-19(17(21)15(3)4)13-9-10-14-20(12-8-2)18(22)16(5)6;1-7-14(21)18-9-17(8-2,10-19-15(22)12(3)4)11-20-16(23)13(5)6;1-7-16(14(18)12(3)4)10-9-11-17(8-2)15(19)13(5)6;1-4-5-11-15(14(16)12(2)3)13-9-7-6-8-10-13;1-10(2)12(16)14(5)8-7-9-15(6)13(17)11(3)4;1-5-6-7-8-9-10-13(4)12(14)11(2)3/h8,17,22,26H,1-2,4,6,9-12H2,3,5,7H3,(H,21,25)(H,23,27)(H,24,28);13-18H,1,3,5-10H2,2,4H3,(H,21,23)(H,22,24);7-10,16H,1-3,11-14H2,4-6H3;7,15,19,22H,1,3,5,8-11H2,2,4,6H3,(H,18,21)(H,20,23);3,5,7-11H2,1-2,4,6H3;13H,2,4-11H2,1,3H3;1,3,7-9H2,2,4-6H3;2,5-10H2,1,3-4H3/b;;10-9+;;;;;.
What are the key properties of N-butyl-N-cyclohexyl-2-methylprop-2-enamide;N,2-dimethyl-N-[3-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-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]-2-[(2-methylprop-2-enoylamino)methyl]-3-(prop-2-enoylamino)propyl]-2-methylprop-2-enamide;N-[2-[[(1-hydroxy-2-methylprop-2-enyl)amino]methyl]-2-[(prop-2-enoylamino)methyl]butyl]-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-enylpropanamide?
N-butyl-N-cyclohexyl-2-methylprop-2-enamide;N,2-dimethyl-N-[3-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-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]-2-[(2-methylprop-2-enoylamino)methyl]-3-(prop-2-enoylamino)propyl]-2-methylprop-2-enamide;N-[2-[[(1-hydroxy-2-methylprop-2-enyl)amino]methyl]-2-[(prop-2-enoylamino)methyl]butyl]-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-enylpropanamide has a molecular weight of 2276.24 g/mol, XLogP of 16.66, 66 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclohexyl-2-methylprop-2-enamide;N,2-dimethyl-N-[3-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-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]-2-[(2-methylprop-2-enoylamino)methyl]-3-(prop-2-enoylamino)propyl]-2-methylprop-2-enamide;N-[2-[[(1-hydroxy-2-methylprop-2-enyl)amino]methyl]-2-[(prop-2-enoylamino)methyl]butyl]-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-enylpropanamide is sourced from PubChem (CID 159165808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).