N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide

C20H25NO — CID 4881413

IUPACN-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide
SMILESCc1cccc(C(C)C)c1NC(=O)CC(C)c1ccccc1
InChIInChI=1S/C20H25NO/c1-14(2)18-12-8-9-15(3)20(18)21-19(22)13-16(4)17-10-6-5-7-11-17/h5-12,14,16H,13H2,1-4H3,(H,21,22)
InChIKeyVHDIVIGXRWOHSF-UHFFFAOYSA-N
MW295.43 g/mol
LogP5.25
Rot. Bonds5

About N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide

N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide (PubChem CID 4881413) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide
PubChem CID4881413
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide
SMILESCc1cccc(C(C)C)c1NC(=O)CC(C)c1ccccc1
InChIInChI=1S/C20H25NO/c1-14(2)18-12-8-9-15(3)20(18)21-19(22)13-16(4)17-10-6-5-7-11-17/h5-12,14,16H,13H2,1-4H3,(H,21,22)
InChIKeyVHDIVIGXRWOHSF-UHFFFAOYSA-N
XLogP5.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.43
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide 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

[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7228079
(3R)-N-(2-methylphenyl)-3-phenylbutanamide
CID 7946569
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
[(1R)-2-methyl-1-phenylpropyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium
CID 9131757
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
2-(2-fluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2591845
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide
CID 22691784
3-amino-N-(2-methyl-6-propan-2-ylphenyl)-3-sulfanylidenepropanamide
CID 28942450
3-[acetyl(1-phenylethyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113118994
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] benzoate
CID 2105140

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide (CID 4881413) is N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide is Cc1cccc(C(C)C)c1NC(=O)CC(C)c1ccccc1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide?
The InChIKey is VHDIVIGXRWOHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-14(2)18-12-8-9-15(3)20(18)21-19(22)13-16(4)17-10-6-5-7-11-17/h5-12,14,16H,13H2,1-4H3,(H,21,22).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide?
N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide has a molecular weight of 295.43 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide is sourced from PubChem (CID 4881413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).