(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide

C14H21N3O2 — CID 79012217

IUPAC(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide
SMILESCC(=O)Nc1ccc(CNC(=O)[C@H](N)C(C)C)cc1
InChIInChI=1S/C14H21N3O2/c1-9(2)13(15)14(19)16-8-11-4-6-12(7-5-11)17-10(3)18/h4-7,9,13H,8,15H2,1-3H3,(H,16,19)(H,17,18)/t13-/m1/s1
InChIKeyWZQKRGZBGXCMOR-CYBMUJFWSA-N
MW263.34 g/mol
LogP1.24
Rot. Bonds5

About (2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide

(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide (PubChem CID 79012217) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide
PubChem CID79012217
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide
SMILESCC(=O)Nc1ccc(CNC(=O)[C@H](N)C(C)C)cc1
InChIInChI=1S/C14H21N3O2/c1-9(2)13(15)14(19)16-8-11-4-6-12(7-5-11)17-10(3)18/h4-7,9,13H,8,15H2,1-3H3,(H,16,19)(H,17,18)/t13-/m1/s1
InChIKeyWZQKRGZBGXCMOR-CYBMUJFWSA-N
XLogP1.24
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(4-acetamidophenyl)methyl]-2-amino-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

2-amino-3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119277422
(2S)-N-[(4-acetamidophenyl)methyl]-2-aminopropanamide
CID 78969011
tert-butyl N-[4-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]phenyl]carbamate
CID 142457429
(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-4-methylpentanamide
CID 104903275
N-[(4-acetamidophenyl)methyl]-2-bromo-3-methylbutanamide
CID 43168094
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
4-[(4-acetamidophenyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496555
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
CID 61250496
(2S)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]-3-methylbutanamide;hydrochloride
CID 119297048
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 22690639
4-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119864763

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide?
The IUPAC name of (2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide (CID 79012217) is (2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide.
What is the SMILES notation for (2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide?
The canonical SMILES for (2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide is CC(=O)Nc1ccc(CNC(=O)[C@H](N)C(C)C)cc1.
What is the InChIKey of (2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide?
The InChIKey is WZQKRGZBGXCMOR-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(2)13(15)14(19)16-8-11-4-6-12(7-5-11)17-10(3)18/h4-7,9,13H,8,15H2,1-3H3,(H,16,19)(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide?
(2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide has a molecular weight of 263.34 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-acetamidophenyl)methyl]-2-amino-3-methylbutanamide is sourced from PubChem (CID 79012217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).