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-[propanoyl-[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-hydroxy-7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]heptyl]-N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]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);3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide

C234H373N39O49 — CID 158065223

IUPAC3-[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-[propanoyl-[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-hydroxy-7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]heptyl]-N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]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);3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide
SMILESC=CC(=O)CCCCN(CCNC(=O)C=C)C(=O)CCN(CCN(CCCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)CCCCN(CCNC(=O)C=C)C(=O)CCN(CCN(CCCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)CCCCN(CCNC(=O)C=C)CCC(=O)N(CCCCC(=O)C=C)CCNC(=O)C=C.C=CC(=O)CCCCOCCOCCOCCCCC(O)CCN(CCCOCCOCCOCCCCC(=O)C=C)C(=O)C=C.C=CC(=O)NCCCN(CCCN(CCC(=O)N(CCCNC(=O)C=C)CCCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)NCCCN(CCCNC(=O)C=C)CCC(=O)N(CCCNC(=O)C=C)CCCNC(=O)C=C.C=CC(=O)NCCCN(CCCNC(=O)C=C)CCC(=O)NCCCN(CCCNC(=O)C=C)C(=O)CC.C=CC(=O)NCCCN(CCCNC(=O)CCN(CCCN(CCCNC(=O)C=C)C(=O)CC)C(=O)C=C)C(=O)C=C
InChIInChI=1S/C35H61NO10.C30H48N6O6.C30H46N6O6.2C29H43N5O6.C27H46N6O5.C27H44N6O5.C27H42N4O5/c1-4-32(37)14-7-10-20-41-24-28-45-29-26-43-22-12-9-16-34(39)17-19-36(35(40)6-3)18-13-23-44-27-31-46-30-25-42-21-11-8-15-33(38)5-2;1-6-25(37)31-16-11-19-34(28(40)8-3)20-13-18-33-27(39)15-24-36(30(42)10-5)23-14-22-35(29(41)9-4)21-12-17-32-26(38)7-2;1-6-25(37)31-16-11-19-34(28(40)9-4)22-14-23-36(29(41)10-5)24-15-30(42)35(20-12-17-32-26(38)7-2)21-13-18-33-27(39)8-3;2*1-6-24(35)14-11-12-18-32(21-17-31-26(37)8-3)29(40)15-20-34(28(39)10-5)23-22-33(27(38)9-4)19-13-16-30-25(36)7-2;1-5-23(34)28-14-9-18-32(19-10-15-29-24(35)6-2)22-13-26(37)31-17-12-21-33(27(38)8-4)20-11-16-30-25(36)7-3;1-5-23(34)28-14-9-18-32(19-10-15-29-24(35)6-2)22-13-27(38)33(20-11-16-30-25(36)7-3)21-12-17-31-26(37)8-4;1-5-23(32)13-9-11-18-30(21-16-28-25(34)7-3)20-15-27(36)31(22-17-29-26(35)8-4)19-12-10-14-24(33)6-2/h4-6,34,39H,1-3,7-31H2;6-8,10H,1-3,5,9,11-24H2,4H3,(H,31,37)(H,32,38)(H,33,39);6-10H,1-5,11-24H2,(H,31,37)(H,32,38)(H,33,39);2*6-10H,1-5,11-23H2,(H,30,36)(H,31,37);5-7H,1-3,8-22H2,4H3,(H,28,34)(H,29,35)(H,30,36)(H,31,37);5-8H,1-4,9-22H2,(H,28,34)(H,29,35)(H,30,36)(H,31,37);5-8H,1-4,9-22H2,(H,28,34)(H,29,35)
InChIKeyFLDIAKCGQXKTCJ-UHFFFAOYSA-N
MW4516.78 g/mol
LogP10.94
Rot. Bonds200

About 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-[propanoyl-[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-hydroxy-7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]heptyl]-N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]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);3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide

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-[propanoyl-[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-hydroxy-7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]heptyl]-N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]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);3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide (PubChem CID 158065223) has the molecular formula C234H373N39O49 and a molecular weight of 4516.78 g/mol. Its IUPAC name is 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-[propanoyl-[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-hydroxy-7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]heptyl]-N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]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);3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide.

Molecular Properties

Compound Name3-[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-[propanoyl-[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-hydroxy-7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]heptyl]-N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]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);3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide
PubChem CID158065223
Molecular FormulaC234H373N39O49
Molecular Weight4516.78 g/mol
Exact Mass4513.79
IUPAC Name3-[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-[propanoyl-[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-hydroxy-7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]heptyl]-N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]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);3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide
SMILESC=CC(=O)CCCCN(CCNC(=O)C=C)C(=O)CCN(CCN(CCCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)CCCCN(CCNC(=O)C=C)C(=O)CCN(CCN(CCCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)CCCCN(CCNC(=O)C=C)CCC(=O)N(CCCCC(=O)C=C)CCNC(=O)C=C.C=CC(=O)CCCCOCCOCCOCCCCC(O)CCN(CCCOCCOCCOCCCCC(=O)C=C)C(=O)C=C.C=CC(=O)NCCCN(CCCN(CCC(=O)N(CCCNC(=O)C=C)CCCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)NCCCN(CCCNC(=O)C=C)CCC(=O)N(CCCNC(=O)C=C)CCCNC(=O)C=C.C=CC(=O)NCCCN(CCCNC(=O)C=C)CCC(=O)NCCCN(CCCNC(=O)C=C)C(=O)CC.C=CC(=O)NCCCN(CCCNC(=O)CCN(CCCN(CCCNC(=O)C=C)C(=O)CC)C(=O)C=C)C(=O)C=C
InChIInChI=1S/C35H61NO10.C30H48N6O6.C30H46N6O6.2C29H43N5O6.C27H46N6O5.C27H44N6O5.C27H42N4O5/c1-4-32(37)14-7-10-20-41-24-28-45-29-26-43-22-12-9-16-34(39)17-19-36(35(40)6-3)18-13-23-44-27-31-46-30-25-42-21-11-8-15-33(38)5-2;1-6-25(37)31-16-11-19-34(28(40)8-3)20-13-18-33-27(39)15-24-36(30(42)10-5)23-14-22-35(29(41)9-4)21-12-17-32-26(38)7-2;1-6-25(37)31-16-11-19-34(28(40)9-4)22-14-23-36(29(41)10-5)24-15-30(42)35(20-12-17-32-26(38)7-2)21-13-18-33-27(39)8-3;2*1-6-24(35)14-11-12-18-32(21-17-31-26(37)8-3)29(40)15-20-34(28(39)10-5)23-22-33(27(38)9-4)19-13-16-30-25(36)7-2;1-5-23(34)28-14-9-18-32(19-10-15-29-24(35)6-2)22-13-26(37)31-17-12-21-33(27(38)8-4)20-11-16-30-25(36)7-3;1-5-23(34)28-14-9-18-32(19-10-15-29-24(35)6-2)22-13-27(38)33(20-11-16-30-25(36)7-3)21-12-17-31-26(37)8-4;1-5-23(32)13-9-11-18-30(21-16-28-25(34)7-3)20-15-27(36)31(22-17-29-26(35)8-4)19-12-10-14-24(33)6-2/h4-6,34,39H,1-3,7-31H2;6-8,10H,1-3,5,9,11-24H2,4H3,(H,31,37)(H,32,38)(H,33,39);6-10H,1-5,11-24H2,(H,31,37)(H,32,38)(H,33,39);2*6-10H,1-5,11-23H2,(H,30,36)(H,31,37);5-7H,1-3,8-22H2,4H3,(H,28,34)(H,29,35)(H,30,36)(H,31,37);5-8H,1-4,9-22H2,(H,28,34)(H,29,35)(H,30,36)(H,31,37);5-8H,1-4,9-22H2,(H,28,34)(H,29,35)
InChIKeyFLDIAKCGQXKTCJ-UHFFFAOYSA-N
XLogP10.94
TPSA1094.71 Ų
H-Bond Donors21
H-Bond Acceptors52
Rotatable Bonds200
Heavy Atoms322
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004516.78
LogP ≤ 510.94
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1052

Analyze 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-[propanoyl-[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-hydroxy-7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]heptyl]-N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]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);3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-[propanoyl-[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-hydroxy-7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]heptyl]-N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]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);3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide?
The IUPAC name of 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-[propanoyl-[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-hydroxy-7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]heptyl]-N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]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);3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide (CID 158065223) is 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-[propanoyl-[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-hydroxy-7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]heptyl]-N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]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);3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide.
What is the SMILES notation for 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-[propanoyl-[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-hydroxy-7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]heptyl]-N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]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);3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide?
The canonical SMILES for 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-[propanoyl-[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-hydroxy-7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]heptyl]-N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]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);3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide is C=CC(=O)CCCCN(CCNC(=O)C=C)C(=O)CCN(CCN(CCCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)CCCCN(CCNC(=O)C=C)C(=O)CCN(CCN(CCCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)CCCCN(CCNC(=O)C=C)CCC(=O)N(CCCCC(=O)C=C)CCNC(=O)C=C.C=CC(=O)CCCCOCCOCCOCCCCC(O)CCN(CCCOCCOCCOCCCCC(=O)C=C)C(=O)C=C.C=CC(=O)NCCCN(CCCN(CCC(=O)N(CCCNC(=O)C=C)CCCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)NCCCN(CCCNC(=O)C=C)CCC(=O)N(CCCNC(=O)C=C)CCCNC(=O)C=C.C=CC(=O)NCCCN(CCCNC(=O)C=C)CCC(=O)NCCCN(CCCNC(=O)C=C)C(=O)CC.C=CC(=O)NCCCN(CCCNC(=O)CCN(CCCN(CCCNC(=O)C=C)C(=O)CC)C(=O)C=C)C(=O)C=C.
What is the InChIKey of 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-[propanoyl-[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-hydroxy-7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]heptyl]-N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]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);3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide?
The InChIKey is FLDIAKCGQXKTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H61NO10.C30H48N6O6.C30H46N6O6.2C29H43N5O6.C27H46N6O5.C27H44N6O5.C27H42N4O5/c1-4-32(37)14-7-10-20-41-24-28-45-29-26-43-22-12-9-16-34(39)17-19-36(35(40)6-3)18-13-23-44-27-31-46-30-25-42-21-11-8-15-33(38)5-2;1-6-25(37)31-16-11-19-34(28(40)8-3)20-13-18-33-27(39)15-24-36(30(42)10-5)23-14-22-35(29(41)9-4)21-12-17-32-26(38)7-2;1-6-25(37)31-16-11-19-34(28(40)9-4)22-14-23-36(29(41)10-5)24-15-30(42)35(20-12-17-32-26(38)7-2)21-13-18-33-27(39)8-3;2*1-6-24(35)14-11-12-18-32(21-17-31-26(37)8-3)29(40)15-20-34(28(39)10-5)23-22-33(27(38)9-4)19-13-16-30-25(36)7-2;1-5-23(34)28-14-9-18-32(19-10-15-29-24(35)6-2)22-13-26(37)31-17-12-21-33(27(38)8-4)20-11-16-30-25(36)7-3;1-5-23(34)28-14-9-18-32(19-10-15-29-24(35)6-2)22-13-27(38)33(20-11-16-30-25(36)7-3)21-12-17-31-26(37)8-4;1-5-23(32)13-9-11-18-30(21-16-28-25(34)7-3)20-15-27(36)31(22-17-29-26(35)8-4)19-12-10-14-24(33)6-2/h4-6,34,39H,1-3,7-31H2;6-8,10H,1-3,5,9,11-24H2,4H3,(H,31,37)(H,32,38)(H,33,39);6-10H,1-5,11-24H2,(H,31,37)(H,32,38)(H,33,39);2*6-10H,1-5,11-23H2,(H,30,36)(H,31,37);5-7H,1-3,8-22H2,4H3,(H,28,34)(H,29,35)(H,30,36)(H,31,37);5-8H,1-4,9-22H2,(H,28,34)(H,29,35)(H,30,36)(H,31,37);5-8H,1-4,9-22H2,(H,28,34)(H,29,35).
What are the key properties of 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-[propanoyl-[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-hydroxy-7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]heptyl]-N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]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);3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide?
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-[propanoyl-[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-hydroxy-7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]heptyl]-N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]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);3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide has a molecular weight of 4516.78 g/mol, XLogP of 10.94, 200 rotatable bonds, 21 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 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-[propanoyl-[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-hydroxy-7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]heptyl]-N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]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);3-[3-[propanoyl-[3-(prop-2-enoylamino)propyl]amino]propyl-prop-2-enoylamino]-N-[3-[prop-2-enoyl-[3-(prop-2-enoylamino)propyl]amino]propyl]propanamide is sourced from PubChem (CID 158065223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).