2-(2-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide

C21H23N3O — CID 6241538

IUPAC2-(2-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
SMILESCC(/C=C/C=C/c1ccccc1)=N/NC(=O)CNc1ccccc1C
InChIInChI=1S/C21H23N3O/c1-17-10-6-9-15-20(17)22-16-21(25)24-23-18(2)11-7-8-14-19-12-4-3-5-13-19/h3-15,22H,16H2,1-2H3,(H,24,25)/b11-7+,14-8+,23-18-
InChIKeyNZZQVKAKUYOZOA-OCNQYIBWSA-N
MW333.44 g/mol
LogP4.17
Rot. Bonds7

About 2-(2-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide

2-(2-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide (PubChem CID 6241538) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(2-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide.

Molecular Properties

Compound Name2-(2-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
PubChem CID6241538
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-(2-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
SMILESCC(/C=C/C=C/c1ccccc1)=N/NC(=O)CNc1ccccc1C
InChIInChI=1S/C21H23N3O/c1-17-10-6-9-15-20(17)22-16-21(25)24-23-18(2)11-7-8-14-19-12-4-3-5-13-19/h3-15,22H,16H2,1-2H3,(H,24,25)/b11-7+,14-8+,23-18-
InChIKeyNZZQVKAKUYOZOA-OCNQYIBWSA-N
XLogP4.17
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-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,N'-DI(O-Tolyl)oxamide
CID 223396
2-(4-benzylpiperazin-1-yl)-N-(2-methylphenyl)acetamide
CID 2243596
2-(cyclohexylamino)-3-methyl-N-(2-methylphenyl)butanamide
CID 3231354
N'-{4-nitrobenzylidene}-2-(2-toluidino)acetohydrazide
CID 6876597
N-(2,6-dimethylphenyl)-N~2~-phenylglycinamide
CID 684324
Acetamide, N,N-dimethyl-2-(o-toluidino)-
CID 59815
p-Tolylamino-acetic acid hydrazide
CID 302675
4-oxo-N-phenyl-4-[2-(3-phenyl-2-propen-1-ylidene)hydrazino]butanamide
CID 1679483
N-(2-Ethylphenyl)-2-((2-[(2-ethylphenyl)amino]-2-oxoethyl)amino)acetamide+
CID 2115083
2-(2,5-dimethylanilino)-N-(3-methylphenyl)acetamide
CID 2530291
N'-[(1Z,2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]-2-[(4-methylphenyl)amino]acetohydrazide (non-preferred name)
CID 5655681
N'-(2-bromo-3-phenyl-2-propen-1-ylidene)-2-[(2-methylphenyl)amino]acetohydrazide (non-preferred name)
CID 5722664

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide?
The IUPAC name of 2-(2-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide (CID 6241538) is 2-(2-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide.
What is the SMILES notation for 2-(2-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide?
The canonical SMILES for 2-(2-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide is CC(/C=C/C=C/c1ccccc1)=N/NC(=O)CNc1ccccc1C.
What is the InChIKey of 2-(2-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide?
The InChIKey is NZZQVKAKUYOZOA-OCNQYIBWSA-N. The full InChI is InChI=1S/C21H23N3O/c1-17-10-6-9-15-20(17)22-16-21(25)24-23-18(2)11-7-8-14-19-12-4-3-5-13-19/h3-15,22H,16H2,1-2H3,(H,24,25)/b11-7+,14-8+,23-18-.
What are the key properties of 2-(2-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide?
2-(2-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide has a molecular weight of 333.44 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide is sourced from PubChem (CID 6241538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).