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

C14H22N2O — CID 22691003

IUPAC(2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide
SMILESCc1ccccc1CNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C14H22N2O/c1-10(2)8-13(15)14(17)16-9-12-7-5-4-6-11(12)3/h4-7,10,13H,8-9,15H2,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyXEBSLKPJWXTSNI-ZDUSSCGKSA-N
MW234.34 g/mol
LogP1.98
Rot. Bonds5

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

(2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide (PubChem CID 22691003) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide
PubChem CID22691003
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide
SMILESCc1ccccc1CNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C14H22N2O/c1-10(2)8-13(15)14(17)16-9-12-7-5-4-6-11(12)3/h4-7,10,13H,8-9,15H2,1-3H3,(H,16,17)/t13-/m0/s1
InChIKeyXEBSLKPJWXTSNI-ZDUSSCGKSA-N
XLogP1.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119270636
2-amino-4-methyl-N-(naphthalen-1-ylmethyl)pentanamide
CID 62368287
(2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 104941409
(2S)-2-amino-N-[(4-bromo-2-methylphenyl)methyl]-4-methylpentanamide
CID 119781006
(2S)-2-amino-N-[(4-bromo-2-methylphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119781005
(2R)-2-amino-4-methyl-N-[(4-methylthiophen-3-yl)methyl]pentanamide
CID 104903741
(2-methylphenyl)methyl 2-amino-4-methylpentanoate
CID 112510029
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
N-[(2-methylphenyl)methyl]-N'-(2-methylpropyl)propanediamide
CID 108941562
(2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide
CID 130299690
(2S)-2-amino-4-methyl-N-[(4-methyl-2-methylsulfanylphenyl)methyl]pentanamide
CID 119811710
(2S)-2-amino-3,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 119688348

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide (CID 22691003) is (2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide is Cc1ccccc1CNC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide?
The InChIKey is XEBSLKPJWXTSNI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)8-13(15)14(17)16-9-12-7-5-4-6-11(12)3/h4-7,10,13H,8-9,15H2,1-3H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide?
(2S)-2-amino-4-methyl-N-[(2-methylphenyl)methyl]pentanamide has a molecular weight of 234.34 g/mol, XLogP of 1.98, 5 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)methyl]pentanamide is sourced from PubChem (CID 22691003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).