N,N-bis(5-oxohept-6-enyl)prop-2-enamide;N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]prop-2-enamide;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

C81H122N10O18 — CID 158133851

IUPACN,N-bis(5-oxohept-6-enyl)prop-2-enamide;N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]prop-2-enamide;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=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)CCCCOCCOCCOCCCNC(=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.C17H29NO5.C17H25NO3.C15H22N2O3.C13H19N3O3/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;1-3-16(19)8-5-6-10-21-12-14-23-15-13-22-11-7-9-18-17(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,1-2,5-15H2,(H,18,20);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)
InChIKeyFTCJIRZKLYWVCI-UHFFFAOYSA-N
MW1523.92 g/mol
LogP6.19
Rot. Bonds64

About N,N-bis(5-oxohept-6-enyl)prop-2-enamide;N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]prop-2-enamide;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;N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]prop-2-enamide;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 158133851) has the molecular formula C81H122N10O18 and a molecular weight of 1523.92 g/mol. Its IUPAC name is N,N-bis(5-oxohept-6-enyl)prop-2-enamide;N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]prop-2-enamide;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;N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]prop-2-enamide;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 CID158133851
Molecular FormulaC81H122N10O18
Molecular Weight1523.92 g/mol
Exact Mass1522.89
IUPAC NameN,N-bis(5-oxohept-6-enyl)prop-2-enamide;N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]prop-2-enamide;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=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)CCCCOCCOCCOCCCNC(=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.C17H29NO5.C17H25NO3.C15H22N2O3.C13H19N3O3/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;1-3-16(19)8-5-6-10-21-12-14-23-15-13-22-11-7-9-18-17(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,1-2,5-15H2,(H,18,20);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)
InChIKeyFTCJIRZKLYWVCI-UHFFFAOYSA-N
XLogP6.19
TPSA360.09 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds64
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001523.92
LogP ≤ 56.19
H-Bond Donors ≤ 55
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;N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]prop-2-enamide;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;N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]prop-2-enamide;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;N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]prop-2-enamide;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 158133851) is N,N-bis(5-oxohept-6-enyl)prop-2-enamide;N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]prop-2-enamide;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;N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]prop-2-enamide;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;N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]prop-2-enamide;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=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)CCCCOCCOCCOCCCNC(=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;N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]prop-2-enamide;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 FTCJIRZKLYWVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4.C17H29NO5.C17H25NO3.C15H22N2O3.C13H19N3O3/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;1-3-16(19)8-5-6-10-21-12-14-23-15-13-22-11-7-9-18-17(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,1-2,5-15H2,(H,18,20);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).
What are the key properties of N,N-bis(5-oxohept-6-enyl)prop-2-enamide;N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]prop-2-enamide;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;N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]prop-2-enamide;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 1523.92 g/mol, XLogP of 6.19, 64 rotatable bonds, 5 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;N-[3-[2-[2-(5-oxohept-6-enoxy)ethoxy]ethoxy]propyl]prop-2-enamide;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 158133851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).