N,N-bis(4-oxohex-5-enyl)prop-2-enamide;N-ethyl-N-(5-oxohept-6-enyl)prop-2-enamide

C27H40N2O5 — CID 158335464

IUPACN,N-bis(4-oxohex-5-enyl)prop-2-enamide;N-ethyl-N-(5-oxohept-6-enyl)prop-2-enamide
SMILESC=CC(=O)CCCCN(CC)C(=O)C=C.C=CC(=O)CCCN(CCCC(=O)C=C)C(=O)C=C
InChIInChI=1S/C15H21NO3.C12H19NO2/c1-4-13(17)9-7-11-16(15(19)6-3)12-8-10-14(18)5-2;1-4-11(14)9-7-8-10-13(6-3)12(15)5-2/h4-6H,1-3,7-12H2;4-5H,1-2,6-10H2,3H3
InChIKeyGQNHEIOBYQZPQE-UHFFFAOYSA-N
MW472.63 g/mol
LogP4.02
Rot. Bonds19

About N,N-bis(4-oxohex-5-enyl)prop-2-enamide;N-ethyl-N-(5-oxohept-6-enyl)prop-2-enamide

N,N-bis(4-oxohex-5-enyl)prop-2-enamide;N-ethyl-N-(5-oxohept-6-enyl)prop-2-enamide (PubChem CID 158335464) has the molecular formula C27H40N2O5 and a molecular weight of 472.63 g/mol. Its IUPAC name is N,N-bis(4-oxohex-5-enyl)prop-2-enamide;N-ethyl-N-(5-oxohept-6-enyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(4-oxohex-5-enyl)prop-2-enamide;N-ethyl-N-(5-oxohept-6-enyl)prop-2-enamide
PubChem CID158335464
Molecular FormulaC27H40N2O5
Molecular Weight472.63 g/mol
Exact Mass472.29
IUPAC NameN,N-bis(4-oxohex-5-enyl)prop-2-enamide;N-ethyl-N-(5-oxohept-6-enyl)prop-2-enamide
SMILESC=CC(=O)CCCCN(CC)C(=O)C=C.C=CC(=O)CCCN(CCCC(=O)C=C)C(=O)C=C
InChIInChI=1S/C15H21NO3.C12H19NO2/c1-4-13(17)9-7-11-16(15(19)6-3)12-8-10-14(18)5-2;1-4-11(14)9-7-8-10-13(6-3)12(15)5-2/h4-6H,1-3,7-12H2;4-5H,1-2,6-10H2,3H3
InChIKeyGQNHEIOBYQZPQE-UHFFFAOYSA-N
XLogP4.02
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-oxohex-5-enyl)prop-2-enamide;N-ethyl-N-(5-oxohept-6-enyl)prop-2-enamide?
The IUPAC name of N,N-bis(4-oxohex-5-enyl)prop-2-enamide;N-ethyl-N-(5-oxohept-6-enyl)prop-2-enamide (CID 158335464) is N,N-bis(4-oxohex-5-enyl)prop-2-enamide;N-ethyl-N-(5-oxohept-6-enyl)prop-2-enamide.
What is the SMILES notation for N,N-bis(4-oxohex-5-enyl)prop-2-enamide;N-ethyl-N-(5-oxohept-6-enyl)prop-2-enamide?
The canonical SMILES for N,N-bis(4-oxohex-5-enyl)prop-2-enamide;N-ethyl-N-(5-oxohept-6-enyl)prop-2-enamide is C=CC(=O)CCCCN(CC)C(=O)C=C.C=CC(=O)CCCN(CCCC(=O)C=C)C(=O)C=C.
What is the InChIKey of N,N-bis(4-oxohex-5-enyl)prop-2-enamide;N-ethyl-N-(5-oxohept-6-enyl)prop-2-enamide?
The InChIKey is GQNHEIOBYQZPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3.C12H19NO2/c1-4-13(17)9-7-11-16(15(19)6-3)12-8-10-14(18)5-2;1-4-11(14)9-7-8-10-13(6-3)12(15)5-2/h4-6H,1-3,7-12H2;4-5H,1-2,6-10H2,3H3.
What are the key properties of N,N-bis(4-oxohex-5-enyl)prop-2-enamide;N-ethyl-N-(5-oxohept-6-enyl)prop-2-enamide?
N,N-bis(4-oxohex-5-enyl)prop-2-enamide;N-ethyl-N-(5-oxohept-6-enyl)prop-2-enamide has a molecular weight of 472.63 g/mol, XLogP of 4.02, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-oxohex-5-enyl)prop-2-enamide;N-ethyl-N-(5-oxohept-6-enyl)prop-2-enamide is sourced from PubChem (CID 158335464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).