(2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide

C12H17ClN2O — CID 66254944

IUPAC(2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide
SMILESCc1cccc(Cl)c1NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C12H17ClN2O/c1-7(2)10(14)12(16)15-11-8(3)5-4-6-9(11)13/h4-7,10H,14H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyRPFZSRNUYIXIBS-JTQLQIEISA-N
MW240.73 g/mol
LogP2.57
Rot. Bonds3

About (2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide

(2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide (PubChem CID 66254944) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide
PubChem CID66254944
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name(2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide
SMILESCc1cccc(Cl)c1NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C12H17ClN2O/c1-7(2)10(14)12(16)15-11-8(3)5-4-6-9(11)13/h4-7,10H,14H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyRPFZSRNUYIXIBS-JTQLQIEISA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-ethyl-6-methylphenyl)-3-methylbutanamide
CID 79011736
(2R)-2-amino-N-(2-chloro-6-methylphenyl)butanamide
CID 66255891
2-amino-N-(2-chloro-6-methylphenyl)pentanamide
CID 66254750
3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride
CID 12546926
(2S)-2-amino-N-(2-chloro-6-methylphenyl)hexanamide
CID 107145880
2-amino-N-(2-chloro-6-methylphenyl)-4-phenylbutanamide
CID 114928777
2-(3-aminophenyl)-N-(2-chloro-6-methylphenyl)propanamide
CID 106591588
(2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide
CID 103479404
(2R)-2-amino-N-(2-chloro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104905306
(2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide
CID 79011703
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
2-(2-chloro-6-methylanilino)propanamide
CID 66252713

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide (CID 66254944) is (2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide is Cc1cccc(Cl)c1NC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide?
The InChIKey is RPFZSRNUYIXIBS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-7(2)10(14)12(16)15-11-8(3)5-4-6-9(11)13/h4-7,10H,14H2,1-3H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide?
(2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide has a molecular weight of 240.73 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide is sourced from PubChem (CID 66254944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).