2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide

C15H20N2O3 — CID 17424287

IUPAC2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide
SMILESCC(=O)NC(C(=O)Nc1cccc(C(C)=O)c1)C(C)C
InChIInChI=1S/C15H20N2O3/c1-9(2)14(16-11(4)19)15(20)17-13-7-5-6-12(8-13)10(3)18/h5-9,14H,1-4H3,(H,16,19)(H,17,20)
InChIKeyOTHZAHLPTGHUME-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.99
Rot. Bonds5

About 2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide

2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide (PubChem CID 17424287) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide
PubChem CID17424287
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide
SMILESCC(=O)NC(C(=O)Nc1cccc(C(C)=O)c1)C(C)C
InChIInChI=1S/C15H20N2O3/c1-9(2)14(16-11(4)19)15(20)17-13-7-5-6-12(8-13)10(3)18/h5-9,14H,1-4H3,(H,16,19)(H,17,20)
InChIKeyOTHZAHLPTGHUME-UHFFFAOYSA-N
XLogP1.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-acetamido-N-(3-acetylphenyl)-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 3-[[(2R)-2-acetamido-3-methylbutanoyl]amino]benzoate
CID 40880276
3-[(2-acetamido-3-methylbutanoyl)amino]-N,N-dimethylbenzamide
CID 46517429
benzyl N-[(2S)-1-(3-acetylanilino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 9209593
(2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide
CID 79013260
3-(2-acetamidopropanoylamino)benzoic acid
CID 43350881
2-acetamido-3-methyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
CID 131899761
(2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide
CID 95325032
3-[[(2-acetamido-3-methylbutanoyl)amino]methyl]-N-phenylbenzamide
CID 46466222
3-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide
CID 40972283
2-acetamido-N-(4-bromophenyl)-3-methylbutanamide
CID 17391080
2-acetamido-3-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]butanamide
CID 46536057
methyl 2-[(3-acetamidobenzoyl)amino]-3-methylbutanoate
CID 43405965

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide (CID 17424287) is 2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide is CC(=O)NC(C(=O)Nc1cccc(C(C)=O)c1)C(C)C.
What is the InChIKey of 2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide?
The InChIKey is OTHZAHLPTGHUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9(2)14(16-11(4)19)15(20)17-13-7-5-6-12(8-13)10(3)18/h5-9,14H,1-4H3,(H,16,19)(H,17,20).
What are the key properties of 2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide?
2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide has a molecular weight of 276.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide is sourced from PubChem (CID 17424287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).