(3E,5Z)-N-benzyl-2-methylidene-5-[[(E)-1-oxohex-2-en-3-yl]amino]-4-[(Z)-prop-1-enyl]hepta-3,5-dienamide

C24H30N2O2 — CID 142917001

IUPAC(3E,5Z)-N-benzyl-2-methylidene-5-[[(E)-1-oxohex-2-en-3-yl]amino]-4-[(Z)-prop-1-enyl]hepta-3,5-dienamide
SMILESC=C(/C=C(\C=C/C)C(=C/C)/N/C(=C/C=O)CCC)C(=O)NCc1ccccc1
InChIInChI=1S/C24H30N2O2/c1-5-11-21(23(7-3)26-22(12-6-2)15-16-27)17-19(4)24(28)25-18-20-13-9-8-10-14-20/h5,7-11,13-17,26H,4,6,12,18H2,1-3H3,(H,25,28)/b11-5-,21-17+,22-15+,23-7-
InChIKeyXVDORHAOOXTUPG-OFTCWYPLSA-N
MW378.52 g/mol
LogP4.74
Rot. Bonds11

About (3E,5Z)-N-benzyl-2-methylidene-5-[[(E)-1-oxohex-2-en-3-yl]amino]-4-[(Z)-prop-1-enyl]hepta-3,5-dienamide

(3E,5Z)-N-benzyl-2-methylidene-5-[[(E)-1-oxohex-2-en-3-yl]amino]-4-[(Z)-prop-1-enyl]hepta-3,5-dienamide (PubChem CID 142917001) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is (3E,5Z)-N-benzyl-2-methylidene-5-[[(E)-1-oxohex-2-en-3-yl]amino]-4-[(Z)-prop-1-enyl]hepta-3,5-dienamide.

Molecular Properties

Compound Name(3E,5Z)-N-benzyl-2-methylidene-5-[[(E)-1-oxohex-2-en-3-yl]amino]-4-[(Z)-prop-1-enyl]hepta-3,5-dienamide
PubChem CID142917001
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name(3E,5Z)-N-benzyl-2-methylidene-5-[[(E)-1-oxohex-2-en-3-yl]amino]-4-[(Z)-prop-1-enyl]hepta-3,5-dienamide
SMILESC=C(/C=C(\C=C/C)C(=C/C)/N/C(=C/C=O)CCC)C(=O)NCc1ccccc1
InChIInChI=1S/C24H30N2O2/c1-5-11-21(23(7-3)26-22(12-6-2)15-16-27)17-19(4)24(28)25-18-20-13-9-8-10-14-20/h5,7-11,13-17,26H,4,6,12,18H2,1-3H3,(H,25,28)/b11-5-,21-17+,22-15+,23-7-
InChIKeyXVDORHAOOXTUPG-OFTCWYPLSA-N
XLogP4.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E,5Z)-N-benzyl-2-methylidene-5-[[(E)-1-oxohex-2-en-3-yl]amino]-4-[(Z)-prop-1-enyl]hepta-3,5-dienamide with MolForge

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Related Compounds

N-benzyl-2-methylidenepentanamide
CID 130015312
(E)-4-[[(2Z,4E)-6-[3-(bromomethyl)phenyl]-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-3-yl]amino]hept-3-en-2-one
CID 142916755
(2E,4E)-N-benzylhexa-2,4-dienamide
CID 15743128
N-benzylundecanamide
CID 5078198
N-benzyl-2-methylprop-2-enamide;hydrazine
CID 157480946
(Z)-N-benzyl-2-cyanobut-2-enamide;ethane
CID 156894406
(Z,2E)-N-benzyl-2-[2-[5-(1H-1,2,4-triazol-5-yl)-2H-indazol-3-yl]ethylidene]pent-3-enamide
CID 142958001
(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
CID 102438932
(E)-but-2-enoic acid;N-methyl-1-phenylmethanamine
CID 171506749
(E)-N-benzyl-4-oxopent-2-enamide
CID 131237691
N'-benzyl-N-propylpropanediamide
CID 108940601
N-benzyl-2-(2-methylprop-2-enylamino)acetamide
CID 62331341

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-benzyl-2-methylidene-5-[[(E)-1-oxohex-2-en-3-yl]amino]-4-[(Z)-prop-1-enyl]hepta-3,5-dienamide?
The IUPAC name of (3E,5Z)-N-benzyl-2-methylidene-5-[[(E)-1-oxohex-2-en-3-yl]amino]-4-[(Z)-prop-1-enyl]hepta-3,5-dienamide (CID 142917001) is (3E,5Z)-N-benzyl-2-methylidene-5-[[(E)-1-oxohex-2-en-3-yl]amino]-4-[(Z)-prop-1-enyl]hepta-3,5-dienamide.
What is the SMILES notation for (3E,5Z)-N-benzyl-2-methylidene-5-[[(E)-1-oxohex-2-en-3-yl]amino]-4-[(Z)-prop-1-enyl]hepta-3,5-dienamide?
The canonical SMILES for (3E,5Z)-N-benzyl-2-methylidene-5-[[(E)-1-oxohex-2-en-3-yl]amino]-4-[(Z)-prop-1-enyl]hepta-3,5-dienamide is C=C(/C=C(\C=C/C)C(=C/C)/N/C(=C/C=O)CCC)C(=O)NCc1ccccc1.
What is the InChIKey of (3E,5Z)-N-benzyl-2-methylidene-5-[[(E)-1-oxohex-2-en-3-yl]amino]-4-[(Z)-prop-1-enyl]hepta-3,5-dienamide?
The InChIKey is XVDORHAOOXTUPG-OFTCWYPLSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-5-11-21(23(7-3)26-22(12-6-2)15-16-27)17-19(4)24(28)25-18-20-13-9-8-10-14-20/h5,7-11,13-17,26H,4,6,12,18H2,1-3H3,(H,25,28)/b11-5-,21-17+,22-15+,23-7-.
What are the key properties of (3E,5Z)-N-benzyl-2-methylidene-5-[[(E)-1-oxohex-2-en-3-yl]amino]-4-[(Z)-prop-1-enyl]hepta-3,5-dienamide?
(3E,5Z)-N-benzyl-2-methylidene-5-[[(E)-1-oxohex-2-en-3-yl]amino]-4-[(Z)-prop-1-enyl]hepta-3,5-dienamide has a molecular weight of 378.52 g/mol, XLogP of 4.74, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-benzyl-2-methylidene-5-[[(E)-1-oxohex-2-en-3-yl]amino]-4-[(Z)-prop-1-enyl]hepta-3,5-dienamide is sourced from PubChem (CID 142917001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).