2-methyl-N-[3-[4-[(6-methyl-5-oxohept-6-enyl)-(2-methylprop-2-enoyl)amino]butyl-(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide;2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;2-methyl-N-[2-[2-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-(4-oxohex-5-enyl)-N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[2-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide

C169H252N22O30 — CID 161490097

IUPAC2-methyl-N-[3-[4-[(6-methyl-5-oxohept-6-enyl)-(2-methylprop-2-enoyl)amino]butyl-(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide;2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;2-methyl-N-[2-[2-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-(4-oxohex-5-enyl)-N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[2-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)CCCCN(CCCCN(CCCNC(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C.C=C(C)C(=O)CCCN(CCN(CCN(CCCC(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C.C=C(C)C(=O)CCCN(CCN(CCN(CCN(CCNC(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C.C=CC(=O)CCCCN(CCCCN(CCCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)CCCN(CCN(CCN(CCCC(=O)C=C)C(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)CCCN(CCN(CCN(CCN(CCNC(=O)C=C)C(=O)C=C)C(=O)C=C)C(=O)C=C)C(=O)C=C
InChIInChI=1S/C35H53N5O6.C30H45N3O5.C29H41N5O6.C27H43N3O4.C25H35N3O5.C23H35N3O4/c1-24(2)30(41)14-13-16-37(32(43)26(5)6)18-20-39(34(45)28(9)10)22-23-40(35(46)29(11)12)21-19-38(33(44)27(7)8)17-15-36-31(42)25(3)4;1-21(2)26(34)13-11-15-31(28(36)23(5)6)17-19-33(30(38)25(9)10)20-18-32(29(37)24(7)8)16-12-14-27(35)22(3)4;1-7-24(35)14-13-16-31(26(37)9-3)18-20-33(28(39)11-5)22-23-34(29(40)12-6)21-19-32(27(38)10-4)17-15-30-25(36)8-2;1-20(2)24(31)14-9-10-16-29(26(33)22(5)6)17-11-12-18-30(27(34)23(7)8)19-13-15-28-25(32)21(3)4;1-6-21(29)13-11-15-26(23(31)8-3)17-19-28(25(33)10-5)20-18-27(24(32)9-4)16-12-14-22(30)7-2;1-5-20(27)14-9-10-16-25(22(29)7-3)17-11-12-18-26(23(30)8-4)19-13-15-24-21(28)6-2/h1,3,5,7,9,11,13-23H2,2,4,6,8,10,12H3,(H,36,42);1,3,5,7,9,11-20H2,2,4,6,8,10H3;7-12H,1-6,13-23H2,(H,30,36);1,3,5,7,9-19H2,2,4,6,8H3,(H,28,32);6-10H,1-5,11-20H2;5-8H,1-4,9-19H2,(H,24,28)
InChIKeyWFMJXLJAKCYJGW-UHFFFAOYSA-N
MW3072.00 g/mol
LogP16.64
Rot. Bonds118

About 2-methyl-N-[3-[4-[(6-methyl-5-oxohept-6-enyl)-(2-methylprop-2-enoyl)amino]butyl-(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide;2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;2-methyl-N-[2-[2-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-(4-oxohex-5-enyl)-N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[2-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide

2-methyl-N-[3-[4-[(6-methyl-5-oxohept-6-enyl)-(2-methylprop-2-enoyl)amino]butyl-(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide;2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;2-methyl-N-[2-[2-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-(4-oxohex-5-enyl)-N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[2-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide (PubChem CID 161490097) has the molecular formula C169H252N22O30 and a molecular weight of 3072.00 g/mol. Its IUPAC name is 2-methyl-N-[3-[4-[(6-methyl-5-oxohept-6-enyl)-(2-methylprop-2-enoyl)amino]butyl-(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide;2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;2-methyl-N-[2-[2-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-(4-oxohex-5-enyl)-N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[2-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[3-[4-[(6-methyl-5-oxohept-6-enyl)-(2-methylprop-2-enoyl)amino]butyl-(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide;2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;2-methyl-N-[2-[2-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-(4-oxohex-5-enyl)-N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[2-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide
PubChem CID161490097
Molecular FormulaC169H252N22O30
Molecular Weight3072.00 g/mol
Exact Mass3069.89
IUPAC Name2-methyl-N-[3-[4-[(6-methyl-5-oxohept-6-enyl)-(2-methylprop-2-enoyl)amino]butyl-(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide;2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;2-methyl-N-[2-[2-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-(4-oxohex-5-enyl)-N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[2-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)CCCCN(CCCCN(CCCNC(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C.C=C(C)C(=O)CCCN(CCN(CCN(CCCC(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C.C=C(C)C(=O)CCCN(CCN(CCN(CCN(CCNC(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C.C=CC(=O)CCCCN(CCCCN(CCCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)CCCN(CCN(CCN(CCCC(=O)C=C)C(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)CCCN(CCN(CCN(CCN(CCNC(=O)C=C)C(=O)C=C)C(=O)C=C)C(=O)C=C)C(=O)C=C
InChIInChI=1S/C35H53N5O6.C30H45N3O5.C29H41N5O6.C27H43N3O4.C25H35N3O5.C23H35N3O4/c1-24(2)30(41)14-13-16-37(32(43)26(5)6)18-20-39(34(45)28(9)10)22-23-40(35(46)29(11)12)21-19-38(33(44)27(7)8)17-15-36-31(42)25(3)4;1-21(2)26(34)13-11-15-31(28(36)23(5)6)17-19-33(30(38)25(9)10)20-18-32(29(37)24(7)8)16-12-14-27(35)22(3)4;1-7-24(35)14-13-16-31(26(37)9-3)18-20-33(28(39)11-5)22-23-34(29(40)12-6)21-19-32(27(38)10-4)17-15-30-25(36)8-2;1-20(2)24(31)14-9-10-16-29(26(33)22(5)6)17-11-12-18-30(27(34)23(7)8)19-13-15-28-25(32)21(3)4;1-6-21(29)13-11-15-26(23(31)8-3)17-19-28(25(33)10-5)20-18-27(24(32)9-4)16-12-14-22(30)7-2;1-5-20(27)14-9-10-16-25(22(29)7-3)17-11-12-18-26(23(30)8-4)19-13-15-24-21(28)6-2/h1,3,5,7,9,11,13-23H2,2,4,6,8,10,12H3,(H,36,42);1,3,5,7,9,11-20H2,2,4,6,8,10H3;7-12H,1-6,13-23H2,(H,30,36);1,3,5,7,9-19H2,2,4,6,8H3,(H,28,32);6-10H,1-5,11-20H2;5-8H,1-4,9-19H2,(H,24,28)
InChIKeyWFMJXLJAKCYJGW-UHFFFAOYSA-N
XLogP16.64
TPSA618.54 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds118
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003072.00
LogP ≤ 516.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methyl-N-[3-[4-[(6-methyl-5-oxohept-6-enyl)-(2-methylprop-2-enoyl)amino]butyl-(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide;2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;2-methyl-N-[2-[2-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-(4-oxohex-5-enyl)-N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[2-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-[4-hydroxyhex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide
CID 157221292
2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide
CID 160771309
N-[3-[2-[3-formamidopropyl(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide
CID 145023747
3-[bis[3-(prop-2-enoylamino)propyl]amino]-N,N-bis[3-(prop-2-enoylamino)propyl]propanamide;3-[bis[3-(prop-2-enoylamino)propyl]amino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide;N,N-bis[3-(prop-2-enoylamino)propyl]-3-[prop-2-enoyl-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]amino]propanamide;N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]-N-[3-oxo-7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]heptyl]prop-2-enamide;N-(5-oxohept-6-enyl)-3-[5-oxohept-6-enyl-[2-(prop-2-enoylamino)ethyl]amino]-N-[2-(prop-2-enoylamino)ethyl]propanamide;bis(N-(5-oxohept-6-enyl)-N-[2-(prop-2-enoylamino)ethyl]-3-[prop-2-enoyl-[2-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]ethyl]amino]propanamide);N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]-3-[prop-2-enoyl-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]amino]propanamide
CID 160872552
2-methyl-N-[2-[2-[3-methylbuta-1,3-dien-2-yl-[2-[2-methylprop-2-enoyl-[2-[2-methylprop-2-enoyl-[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]amino]ethyl]amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide
CID 139439211
N-[2-(prop-2-enoylamino)ethyl]-3-[2-(prop-2-enoylamino)ethyl-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]amino]-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]propanamide
CID 154023788
N-[3-[3,5-bis[2-hydroxy-3-(prop-2-enoylamino)propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]-2-hydroxypropyl]prop-2-enamide;N-[2-[bis[2-(2-methylprop-2-enoylamino)ethyl]amino]ethyl]-2-methylprop-2-enamide;N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;N-(1,2-dihydroxy-5-methyl-4-oxohex-5-enyl)-2-methylprop-2-enamide;N-[3-[methyl-[3-(prop-2-enoylamino)propyl]amino]propyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide
CID 160565812
N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
CID 118586506
N-[3-[2-(1-hydroxyprop-2-enylamino)ethyl-prop-2-enoylamino]propyl]prop-2-enamide
CID 134546818
(E)-N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]but-2-enamide
CID 130311674
N-[3-(dimethylamino)propyl]prop-2-enamide;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 175755238
2-methyl-N-[2-(6-methyl-5-oxohept-6-enoxy)ethyl]prop-2-enamide
CID 160653023

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[4-[(6-methyl-5-oxohept-6-enyl)-(2-methylprop-2-enoyl)amino]butyl-(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide;2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;2-methyl-N-[2-[2-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-(4-oxohex-5-enyl)-N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[2-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[3-[4-[(6-methyl-5-oxohept-6-enyl)-(2-methylprop-2-enoyl)amino]butyl-(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide;2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;2-methyl-N-[2-[2-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-(4-oxohex-5-enyl)-N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[2-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide (CID 161490097) is 2-methyl-N-[3-[4-[(6-methyl-5-oxohept-6-enyl)-(2-methylprop-2-enoyl)amino]butyl-(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide;2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;2-methyl-N-[2-[2-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-(4-oxohex-5-enyl)-N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[2-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[3-[4-[(6-methyl-5-oxohept-6-enyl)-(2-methylprop-2-enoyl)amino]butyl-(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide;2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;2-methyl-N-[2-[2-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-(4-oxohex-5-enyl)-N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[2-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[3-[4-[(6-methyl-5-oxohept-6-enyl)-(2-methylprop-2-enoyl)amino]butyl-(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide;2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;2-methyl-N-[2-[2-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-(4-oxohex-5-enyl)-N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[2-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide is C=C(C)C(=O)CCCCN(CCCCN(CCCNC(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C.C=C(C)C(=O)CCCN(CCN(CCN(CCCC(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C.C=C(C)C(=O)CCCN(CCN(CCN(CCN(CCNC(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C)C(=O)C(=C)C.C=CC(=O)CCCCN(CCCCN(CCCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)CCCN(CCN(CCN(CCCC(=O)C=C)C(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)CCCN(CCN(CCN(CCN(CCNC(=O)C=C)C(=O)C=C)C(=O)C=C)C(=O)C=C)C(=O)C=C.
What is the InChIKey of 2-methyl-N-[3-[4-[(6-methyl-5-oxohept-6-enyl)-(2-methylprop-2-enoyl)amino]butyl-(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide;2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;2-methyl-N-[2-[2-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-(4-oxohex-5-enyl)-N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[2-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide?
The InChIKey is WFMJXLJAKCYJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H53N5O6.C30H45N3O5.C29H41N5O6.C27H43N3O4.C25H35N3O5.C23H35N3O4/c1-24(2)30(41)14-13-16-37(32(43)26(5)6)18-20-39(34(45)28(9)10)22-23-40(35(46)29(11)12)21-19-38(33(44)27(7)8)17-15-36-31(42)25(3)4;1-21(2)26(34)13-11-15-31(28(36)23(5)6)17-19-33(30(38)25(9)10)20-18-32(29(37)24(7)8)16-12-14-27(35)22(3)4;1-7-24(35)14-13-16-31(26(37)9-3)18-20-33(28(39)11-5)22-23-34(29(40)12-6)21-19-32(27(38)10-4)17-15-30-25(36)8-2;1-20(2)24(31)14-9-10-16-29(26(33)22(5)6)17-11-12-18-30(27(34)23(7)8)19-13-15-28-25(32)21(3)4;1-6-21(29)13-11-15-26(23(31)8-3)17-19-28(25(33)10-5)20-18-27(24(32)9-4)16-12-14-22(30)7-2;1-5-20(27)14-9-10-16-25(22(29)7-3)17-11-12-18-26(23(30)8-4)19-13-15-24-21(28)6-2/h1,3,5,7,9,11,13-23H2,2,4,6,8,10,12H3,(H,36,42);1,3,5,7,9,11-20H2,2,4,6,8,10H3;7-12H,1-6,13-23H2,(H,30,36);1,3,5,7,9-19H2,2,4,6,8H3,(H,28,32);6-10H,1-5,11-20H2;5-8H,1-4,9-19H2,(H,24,28).
What are the key properties of 2-methyl-N-[3-[4-[(6-methyl-5-oxohept-6-enyl)-(2-methylprop-2-enoyl)amino]butyl-(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide;2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;2-methyl-N-[2-[2-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-(4-oxohex-5-enyl)-N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[2-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide?
2-methyl-N-[3-[4-[(6-methyl-5-oxohept-6-enyl)-(2-methylprop-2-enoyl)amino]butyl-(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide;2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;2-methyl-N-[2-[2-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-(4-oxohex-5-enyl)-N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[2-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide has a molecular weight of 3072.00 g/mol, XLogP of 16.64, 118 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[4-[(6-methyl-5-oxohept-6-enyl)-(2-methylprop-2-enoyl)amino]butyl-(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide;2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;2-methyl-N-[2-[2-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide;N-[3-[4-[5-oxohept-6-enyl(prop-2-enoyl)amino]butyl-prop-2-enoylamino]propyl]prop-2-enamide;N-(4-oxohex-5-enyl)-N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[2-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide is sourced from PubChem (CID 161490097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).