N,N-bis(5-oxohept-6-enyl)prop-2-enamide;methane;7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one;N-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide

C83H127N9O18 — CID 159576053

IUPACN,N-bis(5-oxohept-6-enyl)prop-2-enamide;methane;7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one;N-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide
SMILESC.C=CC(=O)CCCCN(CCCCC(=O)C=C)C(=O)C=C.C=CC(=O)CCCCN(CCNC(=O)C=C)C(=O)C=C.C=CC(=O)CCCCOCCOCCOCCCCC(=O)C=C.C=CC(=O)CCCN(CCN(CCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)NCCN(CCNC(=O)C=C)C(=O)C=C
InChIInChI=1S/C19H27N3O4.C18H30O5.C17H25NO3.C15H22N2O3.C13H19N3O3.CH4/c1-5-16(23)10-9-12-21(18(25)7-3)14-15-22(19(26)8-4)13-11-20-17(24)6-2;1-3-17(19)9-5-7-11-21-13-15-23-16-14-22-12-8-6-10-18(20)4-2;1-4-15(19)11-7-9-13-18(17(21)6-3)14-10-8-12-16(20)5-2;1-4-13(18)9-7-8-11-17(15(20)6-3)12-10-16-14(19)5-2;1-4-11(17)14-7-9-16(13(19)6-3)10-8-15-12(18)5-2;/h5-8H,1-4,9-15H2,(H,20,24);3-4H,1-2,5-16H2;4-6H,1-3,7-14H2;4-6H,1-3,7-12H2,(H,16,19);4-6H,1-3,7-10H2,(H,14,17)(H,15,18);1H4
InChIKeyMIKOMYQGLHZTCH-UHFFFAOYSA-N
MW1538.97 g/mol
LogP8.06
Rot. Bonds65

About N,N-bis(5-oxohept-6-enyl)prop-2-enamide;methane;7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one;N-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide

N,N-bis(5-oxohept-6-enyl)prop-2-enamide;methane;7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one;N-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide (PubChem CID 159576053) has the molecular formula C83H127N9O18 and a molecular weight of 1538.97 g/mol. Its IUPAC name is N,N-bis(5-oxohept-6-enyl)prop-2-enamide;methane;7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one;N-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(5-oxohept-6-enyl)prop-2-enamide;methane;7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one;N-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide
PubChem CID159576053
Molecular FormulaC83H127N9O18
Molecular Weight1538.97 g/mol
Exact Mass1537.93
IUPAC NameN,N-bis(5-oxohept-6-enyl)prop-2-enamide;methane;7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one;N-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide
SMILESC.C=CC(=O)CCCCN(CCCCC(=O)C=C)C(=O)C=C.C=CC(=O)CCCCN(CCNC(=O)C=C)C(=O)C=C.C=CC(=O)CCCCOCCOCCOCCCCC(=O)C=C.C=CC(=O)CCCN(CCN(CCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)NCCN(CCNC(=O)C=C)C(=O)C=C
InChIInChI=1S/C19H27N3O4.C18H30O5.C17H25NO3.C15H22N2O3.C13H19N3O3.CH4/c1-5-16(23)10-9-12-21(18(25)7-3)14-15-22(19(26)8-4)13-11-20-17(24)6-2;1-3-17(19)9-5-7-11-21-13-15-23-16-14-22-12-8-6-10-18(20)4-2;1-4-15(19)11-7-9-13-18(17(21)6-3)14-10-8-12-16(20)5-2;1-4-13(18)9-7-8-11-17(15(20)6-3)12-10-16-14(19)5-2;1-4-11(17)14-7-9-16(13(19)6-3)10-8-15-12(18)5-2;/h5-8H,1-4,9-15H2,(H,20,24);3-4H,1-2,5-16H2;4-6H,1-3,7-14H2;4-6H,1-3,7-12H2,(H,16,19);4-6H,1-3,7-10H2,(H,14,17)(H,15,18);1H4
InChIKeyMIKOMYQGLHZTCH-UHFFFAOYSA-N
XLogP8.06
TPSA348.06 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds65
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001538.97
LogP ≤ 58.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze N,N-bis(5-oxohept-6-enyl)prop-2-enamide;methane;7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one;N-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(5-oxohept-6-enyl)prop-2-enamide;methane;7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one;N-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide?
The IUPAC name of N,N-bis(5-oxohept-6-enyl)prop-2-enamide;methane;7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one;N-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide (CID 159576053) is N,N-bis(5-oxohept-6-enyl)prop-2-enamide;methane;7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one;N-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide.
What is the SMILES notation for N,N-bis(5-oxohept-6-enyl)prop-2-enamide;methane;7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one;N-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide?
The canonical SMILES for N,N-bis(5-oxohept-6-enyl)prop-2-enamide;methane;7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one;N-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide is C.C=CC(=O)CCCCN(CCCCC(=O)C=C)C(=O)C=C.C=CC(=O)CCCCN(CCNC(=O)C=C)C(=O)C=C.C=CC(=O)CCCCOCCOCCOCCCCC(=O)C=C.C=CC(=O)CCCN(CCN(CCNC(=O)C=C)C(=O)C=C)C(=O)C=C.C=CC(=O)NCCN(CCNC(=O)C=C)C(=O)C=C.
What is the InChIKey of N,N-bis(5-oxohept-6-enyl)prop-2-enamide;methane;7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one;N-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide?
The InChIKey is MIKOMYQGLHZTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4.C18H30O5.C17H25NO3.C15H22N2O3.C13H19N3O3.CH4/c1-5-16(23)10-9-12-21(18(25)7-3)14-15-22(19(26)8-4)13-11-20-17(24)6-2;1-3-17(19)9-5-7-11-21-13-15-23-16-14-22-12-8-6-10-18(20)4-2;1-4-15(19)11-7-9-13-18(17(21)6-3)14-10-8-12-16(20)5-2;1-4-13(18)9-7-8-11-17(15(20)6-3)12-10-16-14(19)5-2;1-4-11(17)14-7-9-16(13(19)6-3)10-8-15-12(18)5-2;/h5-8H,1-4,9-15H2,(H,20,24);3-4H,1-2,5-16H2;4-6H,1-3,7-14H2;4-6H,1-3,7-12H2,(H,16,19);4-6H,1-3,7-10H2,(H,14,17)(H,15,18);1H4.
What are the key properties of N,N-bis(5-oxohept-6-enyl)prop-2-enamide;methane;7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one;N-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide?
N,N-bis(5-oxohept-6-enyl)prop-2-enamide;methane;7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one;N-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide has a molecular weight of 1538.97 g/mol, XLogP of 8.06, 65 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(5-oxohept-6-enyl)prop-2-enamide;methane;7-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]hept-1-en-3-one;N-[2-[5-oxohept-6-enyl(prop-2-enoyl)amino]ethyl]prop-2-enamide;N-[2-[2-[4-oxohex-5-enyl(prop-2-enoyl)amino]ethyl-prop-2-enoylamino]ethyl]prop-2-enamide;N-[2-[prop-2-enoyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide is sourced from PubChem (CID 159576053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).