2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide

C24H22N2O — CID 129431826

IUPAC2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
SMILESCC(/C=C/c1ccccc1)=NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O/c1-19(17-18-20-11-5-2-6-12-20)25-26-24(27)23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18,23H,1H3,(H,26,27)/b18-17+,25-19?
InChIKeyQBQTXFWRYFNSPJ-FQUMCYAQSA-N
MW354.45 g/mol
LogP5.02
Rot. Bonds6

About 2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide

2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide (PubChem CID 129431826) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
PubChem CID129431826
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
SMILESCC(/C=C/c1ccccc1)=NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O/c1-19(17-18-20-11-5-2-6-12-20)25-26-24(27)23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18,23H,1H3,(H,26,27)/b18-17+,25-19?
InChIKeyQBQTXFWRYFNSPJ-FQUMCYAQSA-N
XLogP5.02
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
methyl N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]carbamate
CID 7072066
2-(4-methylanilino)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]propanamide
CID 11838215
(2R)-2-(4-methylanilino)-N-[[(Z)-4-phenylbut-3-en-2-ylidene]amino]propanamide
CID 129440267
N,N'-bis[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]octanediamide
CID 6321551
1,3-bis[(E)-4-phenylbut-3-en-2-ylideneamino]thiourea
CID 5466074
N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline
CID 6256661
4-bromo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 6948702
4-bromo-N-(4-phenylbut-3-en-2-ylideneamino)benzamide
CID 834129
1-methyl-3-(4-phenylbut-3-en-2-ylideneamino)thiourea
CID 4989240
N-[2-[2-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 129360095
4-[(2E)-2-[(E)-4-phenylbut-3-en-2-ylidene]hydrazinyl]benzoic acid
CID 5378098

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide?
The IUPAC name of 2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide (CID 129431826) is 2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide.
What is the SMILES notation for 2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide?
The canonical SMILES for 2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide is CC(/C=C/c1ccccc1)=NNC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide?
The InChIKey is QBQTXFWRYFNSPJ-FQUMCYAQSA-N. The full InChI is InChI=1S/C24H22N2O/c1-19(17-18-20-11-5-2-6-12-20)25-26-24(27)23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18,23H,1H3,(H,26,27)/b18-17+,25-19?.
What are the key properties of 2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide?
2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide has a molecular weight of 354.45 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide is sourced from PubChem (CID 129431826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).