N-(1,2-diphenylethyl)buta-2,3-dienamide

C18H17NO — CID 176519467

IUPACN-(1,2-diphenylethyl)buta-2,3-dienamide
SMILESC=C=CC(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO/c1-2-9-18(20)19-17(16-12-7-4-8-13-16)14-15-10-5-3-6-11-15/h3-13,17H,1,14H2,(H,19,20)
InChIKeyRVQOZDAIGBQANE-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.43
Rot. Bonds5

About N-(1,2-diphenylethyl)buta-2,3-dienamide

N-(1,2-diphenylethyl)buta-2,3-dienamide (PubChem CID 176519467) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)buta-2,3-dienamide.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)buta-2,3-dienamide
PubChem CID176519467
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC NameN-(1,2-diphenylethyl)buta-2,3-dienamide
SMILESC=C=CC(=O)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO/c1-2-9-18(20)19-17(16-12-7-4-8-13-16)14-15-10-5-3-6-11-15/h3-13,17H,1,14H2,(H,19,20)
InChIKeyRVQOZDAIGBQANE-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1,2-diphenylethyl)buta-2,3-dienamide 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

1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
1,2-diphenylethylurea
CID 2853470
N-[2-(3-hydroxyphenyl)-1-phenylethyl]prop-2-enamide
CID 146094351
methyl N-(1,2-diphenylethyl)carbamate
CID 139785732
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241
N-(1,2-diphenylethyl)pentanamide
CID 134014505
1-[(1S)-1,2-diphenylethyl]-3-prop-2-ynylurea
CID 36512732
N-(1,2-diphenylethyl)-2,2-dimethoxyacetamide
CID 21419374
N-(1,2-diphenylethyl)-4-(methylamino)butanamide
CID 119689852
6-amino-N-(1,2-diphenylethyl)hexanamide
CID 42792343
N-[(1S)-1,2-diphenylethyl]hydroxylamine
CID 163358827
N-(1,2-diphenylethyl)hydroxylamine
CID 82685199

Frequently Asked Questions

What is the IUPAC name of N-(1,2-diphenylethyl)buta-2,3-dienamide?
The IUPAC name of N-(1,2-diphenylethyl)buta-2,3-dienamide (CID 176519467) is N-(1,2-diphenylethyl)buta-2,3-dienamide.
What is the SMILES notation for N-(1,2-diphenylethyl)buta-2,3-dienamide?
The canonical SMILES for N-(1,2-diphenylethyl)buta-2,3-dienamide is C=C=CC(=O)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,2-diphenylethyl)buta-2,3-dienamide?
The InChIKey is RVQOZDAIGBQANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-2-9-18(20)19-17(16-12-7-4-8-13-16)14-15-10-5-3-6-11-15/h3-13,17H,1,14H2,(H,19,20).
What are the key properties of N-(1,2-diphenylethyl)buta-2,3-dienamide?
N-(1,2-diphenylethyl)buta-2,3-dienamide has a molecular weight of 263.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)buta-2,3-dienamide is sourced from PubChem (CID 176519467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).