N-benzyl-N-[(1Z)-3-methyl-1-phenylbuta-1,3-dien-2-yl]acetamide

C20H21NO — CID 89172718

IUPACN-benzyl-N-[(1Z)-3-methyl-1-phenylbuta-1,3-dien-2-yl]acetamide
SMILESC=C(C)/C(=C/c1ccccc1)N(Cc1ccccc1)C(C)=O
InChIInChI=1S/C20H21NO/c1-16(2)20(14-18-10-6-4-7-11-18)21(17(3)22)15-19-12-8-5-9-13-19/h4-14H,1,15H2,2-3H3/b20-14-
InChIKeyLGNRBPHZYBKAQY-ZHZULCJRSA-N
MW291.39 g/mol
LogP4.65
Rot. Bonds5

About N-benzyl-N-[(1Z)-3-methyl-1-phenylbuta-1,3-dien-2-yl]acetamide

N-benzyl-N-[(1Z)-3-methyl-1-phenylbuta-1,3-dien-2-yl]acetamide (PubChem CID 89172718) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is N-benzyl-N-[(1Z)-3-methyl-1-phenylbuta-1,3-dien-2-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(1Z)-3-methyl-1-phenylbuta-1,3-dien-2-yl]acetamide
PubChem CID89172718
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC NameN-benzyl-N-[(1Z)-3-methyl-1-phenylbuta-1,3-dien-2-yl]acetamide
SMILESC=C(C)/C(=C/c1ccccc1)N(Cc1ccccc1)C(C)=O
InChIInChI=1S/C20H21NO/c1-16(2)20(14-18-10-6-4-7-11-18)21(17(3)22)15-19-12-8-5-9-13-19/h4-14H,1,15H2,2-3H3/b20-14-
InChIKeyLGNRBPHZYBKAQY-ZHZULCJRSA-N
XLogP4.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-benzyl-N-[(1Z)-3-methyl-1-phenylbuta-1,3-dien-2-yl]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-benzyl-2-methyl-N-prop-1-en-2-ylprop-2-enamide
CID 53235919
N-benzyl-2,2-dimethyl-N-(2-methylprop-2-enoyl)propanamide
CID 135086054
N-benzyl-N-[(Z)-1-naphthalen-2-yl-2-phenylethenyl]acetamide
CID 102487066
methyl 2-[acetyl(benzyl)amino]prop-2-enoate
CID 11776154
tert-butyl N-benzyl-N-[(E)-1-iodo-2-phenylethenyl]carbamate
CID 154711768
1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea
CID 70519358
N-benzyl-N-[1-(4-nitrophenyl)ethenyl]acetamide
CID 176893369
(Z)-N-benzyl-N-methyl-2-(methylideneamino)-3-phenylprop-2-enamide
CID 153403970
2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate
CID 70124649
N-benzyl-N-[1-(3,4,5-trimethoxyphenyl)ethenyl]acetamide
CID 102487068
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
N-benzyl-N-[(Z)-prop-1-enyl]acetamide
CID 68566363

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1Z)-3-methyl-1-phenylbuta-1,3-dien-2-yl]acetamide?
The IUPAC name of N-benzyl-N-[(1Z)-3-methyl-1-phenylbuta-1,3-dien-2-yl]acetamide (CID 89172718) is N-benzyl-N-[(1Z)-3-methyl-1-phenylbuta-1,3-dien-2-yl]acetamide.
What is the SMILES notation for N-benzyl-N-[(1Z)-3-methyl-1-phenylbuta-1,3-dien-2-yl]acetamide?
The canonical SMILES for N-benzyl-N-[(1Z)-3-methyl-1-phenylbuta-1,3-dien-2-yl]acetamide is C=C(C)/C(=C/c1ccccc1)N(Cc1ccccc1)C(C)=O.
What is the InChIKey of N-benzyl-N-[(1Z)-3-methyl-1-phenylbuta-1,3-dien-2-yl]acetamide?
The InChIKey is LGNRBPHZYBKAQY-ZHZULCJRSA-N. The full InChI is InChI=1S/C20H21NO/c1-16(2)20(14-18-10-6-4-7-11-18)21(17(3)22)15-19-12-8-5-9-13-19/h4-14H,1,15H2,2-3H3/b20-14-.
What are the key properties of N-benzyl-N-[(1Z)-3-methyl-1-phenylbuta-1,3-dien-2-yl]acetamide?
N-benzyl-N-[(1Z)-3-methyl-1-phenylbuta-1,3-dien-2-yl]acetamide has a molecular weight of 291.39 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1Z)-3-methyl-1-phenylbuta-1,3-dien-2-yl]acetamide is sourced from PubChem (CID 89172718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).