N-(1,3-diphenylprop-2-ynyl)-3-methylbutanamide

C20H21NO — CID 86086708

IUPACN-(1,3-diphenylprop-2-ynyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NO/c1-16(2)15-20(22)21-19(18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-12,16,19H,15H2,1-2H3,(H,21,22)
InChIKeyXFRPLZIIPPOQHJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.94
Rot. Bonds4

About N-(1,3-diphenylprop-2-ynyl)-3-methylbutanamide

N-(1,3-diphenylprop-2-ynyl)-3-methylbutanamide (PubChem CID 86086708) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(1,3-diphenylprop-2-ynyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(1,3-diphenylprop-2-ynyl)-3-methylbutanamide
PubChem CID86086708
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC NameN-(1,3-diphenylprop-2-ynyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC(C#Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NO/c1-16(2)15-20(22)21-19(18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-12,16,19H,15H2,1-2H3,(H,21,22)
InChIKeyXFRPLZIIPPOQHJ-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1,3-diphenylprop-2-ynyl)-3-methylbutanamide 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

methyl N-(1,3-diphenylprop-2-ynyl)carbamate
CID 102372923
N-[(1R)-1,3-diphenylprop-2-ynyl]hydroxylamine
CID 134926721
N-methyl-3,5-diphenylpent-4-ynamide
CID 135041577
3-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxo-1-phenylethyl]butanamide;hydrochloride
CID 119500815
2-(1,3-diphenylprop-2-ynylamino)-2-phenylethanol
CID 101260861
N-(1,3-diphenylprop-2-ynyl)aniline
CID 11196846
N-(2-amino-2-hydroxyimino-1-phenylethyl)-3-methylbutanamide
CID 76891327
3-amino-5-phenylpent-4-ynoic acid
CID 22602696
3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
CID 36947465
(3R)-3-methyl-5-phenylpent-4-yn-2-one
CID 158222149
N-[cyano(pyridin-2-yl)methyl]-3-methylbutanamide
CID 82113908
N-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide
CID 60548268

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylprop-2-ynyl)-3-methylbutanamide?
The IUPAC name of N-(1,3-diphenylprop-2-ynyl)-3-methylbutanamide (CID 86086708) is N-(1,3-diphenylprop-2-ynyl)-3-methylbutanamide.
What is the SMILES notation for N-(1,3-diphenylprop-2-ynyl)-3-methylbutanamide?
The canonical SMILES for N-(1,3-diphenylprop-2-ynyl)-3-methylbutanamide is CC(C)CC(=O)NC(C#Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(1,3-diphenylprop-2-ynyl)-3-methylbutanamide?
The InChIKey is XFRPLZIIPPOQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-16(2)15-20(22)21-19(18-11-7-4-8-12-18)14-13-17-9-5-3-6-10-17/h3-12,16,19H,15H2,1-2H3,(H,21,22).
What are the key properties of N-(1,3-diphenylprop-2-ynyl)-3-methylbutanamide?
N-(1,3-diphenylprop-2-ynyl)-3-methylbutanamide has a molecular weight of 291.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylprop-2-ynyl)-3-methylbutanamide is sourced from PubChem (CID 86086708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).