(2E,4E)-N-benzyl-N-[(E)-5-oxohex-3-en-2-yl]oxyhexa-2,4-dienamide

C19H23NO3 — CID 15497986

IUPAC(2E,4E)-N-benzyl-N-[(E)-5-oxohex-3-en-2-yl]oxyhexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)N(Cc1ccccc1)OC(C)/C=C/C(C)=O
InChIInChI=1S/C19H23NO3/c1-4-5-7-12-19(22)20(15-18-10-8-6-9-11-18)23-17(3)14-13-16(2)21/h4-14,17H,15H2,1-3H3/b5-4+,12-7+,14-13+
InChIKeyVUMNAUULYOTRCL-BPVBOTCXSA-N
MW313.40 g/mol
LogP3.61
Rot. Bonds8

About (2E,4E)-N-benzyl-N-[(E)-5-oxohex-3-en-2-yl]oxyhexa-2,4-dienamide

(2E,4E)-N-benzyl-N-[(E)-5-oxohex-3-en-2-yl]oxyhexa-2,4-dienamide (PubChem CID 15497986) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2E,4E)-N-benzyl-N-[(E)-5-oxohex-3-en-2-yl]oxyhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-benzyl-N-[(E)-5-oxohex-3-en-2-yl]oxyhexa-2,4-dienamide
PubChem CID15497986
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2E,4E)-N-benzyl-N-[(E)-5-oxohex-3-en-2-yl]oxyhexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)N(Cc1ccccc1)OC(C)/C=C/C(C)=O
InChIInChI=1S/C19H23NO3/c1-4-5-7-12-19(22)20(15-18-10-8-6-9-11-18)23-17(3)14-13-16(2)21/h4-14,17H,15H2,1-3H3/b5-4+,12-7+,14-13+
InChIKeyVUMNAUULYOTRCL-BPVBOTCXSA-N
XLogP3.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-5-methoxy-3,4-dimethyl-1,5-dihydro-2H-pyrrol-2-one
CID 11481653
N-Benzyl-N-hydroxyacetamide
CID 371716
1-benzyl-2-hydroxy-2H-pyrrol-5-one
CID 11148175
1-benzyl-2-hydroxy-4-methyl-2H-pyrrol-5-one
CID 11217940
2-benzyl-5-methylisoxazol-3(2H)-one
CID 12746069
2-(1-benzylpiperidin-4-ylidene)-2-fluoro-N-methoxy-N-methylacetamide
CID 42646134
1-benzyl-5-methoxy-4-methyl-1,5-dihydro-2H-pyrrol-2-one
CID 5348219
3,6-Dihydrooxazin-2-yl(phenyl)methanone
CID 11412831
N-ethoxy-N-ethylbenzamide
CID 12241442
1-Benzyl-5-hydroxy-5-methylpyrrol-2-one
CID 15275366
(4,5-Dimethyl-3,6-dihydrooxazin-2-yl)-phenylmethanone
CID 86139389
N-benzyl-N-methoxyacetamide
CID 131199879

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-benzyl-N-[(E)-5-oxohex-3-en-2-yl]oxyhexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-benzyl-N-[(E)-5-oxohex-3-en-2-yl]oxyhexa-2,4-dienamide (CID 15497986) is (2E,4E)-N-benzyl-N-[(E)-5-oxohex-3-en-2-yl]oxyhexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-benzyl-N-[(E)-5-oxohex-3-en-2-yl]oxyhexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-benzyl-N-[(E)-5-oxohex-3-en-2-yl]oxyhexa-2,4-dienamide is C/C=C/C=C/C(=O)N(Cc1ccccc1)OC(C)/C=C/C(C)=O.
What is the InChIKey of (2E,4E)-N-benzyl-N-[(E)-5-oxohex-3-en-2-yl]oxyhexa-2,4-dienamide?
The InChIKey is VUMNAUULYOTRCL-BPVBOTCXSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-5-7-12-19(22)20(15-18-10-8-6-9-11-18)23-17(3)14-13-16(2)21/h4-14,17H,15H2,1-3H3/b5-4+,12-7+,14-13+.
What are the key properties of (2E,4E)-N-benzyl-N-[(E)-5-oxohex-3-en-2-yl]oxyhexa-2,4-dienamide?
(2E,4E)-N-benzyl-N-[(E)-5-oxohex-3-en-2-yl]oxyhexa-2,4-dienamide has a molecular weight of 313.40 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-benzyl-N-[(E)-5-oxohex-3-en-2-yl]oxyhexa-2,4-dienamide is sourced from PubChem (CID 15497986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).