(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide

C13H20N2O — CID 22691032

IUPAC(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
SMILESCc1ccccc1NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C13H20N2O/c1-9(2)8-11(14)13(16)15-12-7-5-4-6-10(12)3/h4-7,9,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyVQWMOPGTQZALEJ-NSHDSACASA-N
MW220.32 g/mol
LogP2.31
Rot. Bonds4

About (2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide

(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide (PubChem CID 22691032) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
PubChem CID22691032
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
SMILESCc1ccccc1NC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C13H20N2O/c1-9(2)8-11(14)13(16)15-12-7-5-4-6-10(12)3/h4-7,9,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyVQWMOPGTQZALEJ-NSHDSACASA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide 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

(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride
CID 119670479
2-amino-4-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 24703772
2-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 24690389
(2S)-N-(3-acetamido-2-methylphenyl)-2-amino-4-methylpentanamide
CID 119704819
2-[(2-amino-4-methylpentanoyl)amino]benzamide
CID 24702801
(2S)-2-amino-N-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]diselanyl]phenyl]-4-methylpentanamide
CID 24862332
ethyl 2-[(2-amino-4-methylpentanoyl)amino]benzoate
CID 61273586
2-amino-4-methyl-N-(2-propylphenyl)pentanamide
CID 43703952
2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
(2S)-2-amino-N-(2-methylphenyl)-3-phenylpropanamide
CID 22691205
(2S)-2-amino-4-methyl-N-(4-methyl-3-pyridinyl)pentanamide
CID 63327835
(2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide
CID 104902583

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide (CID 22691032) is (2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide is Cc1ccccc1NC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide?
The InChIKey is VQWMOPGTQZALEJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(2)8-11(14)13(16)15-12-7-5-4-6-10(12)3/h4-7,9,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide?
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide has a molecular weight of 220.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide is sourced from PubChem (CID 22691032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).