(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide

C13H20N2O — CID 22691033

IUPAC(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
SMILESCc1cccc(NC(=O)[C@@H](N)CC(C)C)c1
InChIInChI=1S/C13H20N2O/c1-9(2)7-12(14)13(16)15-11-6-4-5-10(3)8-11/h4-6,8-9,12H,7,14H2,1-3H3,(H,15,16)/t12-/m0/s1
InChIKeyIYKYGFGOKWZRBZ-LBPRGKRZSA-N
MW220.32 g/mol
LogP2.31
Rot. Bonds4

About (2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide

(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide (PubChem CID 22691033) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
PubChem CID22691033
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
SMILESCc1cccc(NC(=O)[C@@H](N)CC(C)C)c1
InChIInChI=1S/C13H20N2O/c1-9(2)7-12(14)13(16)15-11-6-4-5-10(3)8-11/h4-6,8-9,12H,7,14H2,1-3H3,(H,15,16)/t12-/m0/s1
InChIKeyIYKYGFGOKWZRBZ-LBPRGKRZSA-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

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Related Compounds

(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503
2-amino-N-(3-methylphenyl)butanamide
CID 43649463
(2S)-2-amino-4-methyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pentanamide;hydrochloride
CID 119679357
2-amino-N-(3-ethynylphenyl)-4-methylpentanamide
CID 24698325
(E)-3-[3-[(2-amino-4-methylpentanoyl)amino]phenyl]prop-2-enoic acid
CID 115339756
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 39378942
2-amino-N-[3-[(dimethylamino)methyl]phenyl]-4-methylpentanamide
CID 43704239
(2S)-2-amino-4-methyl-N-[3-(methylsulfonylmethyl)phenyl]pentanamide
CID 119756858
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride
CID 119707765
(2R)-2-amino-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pentanamide
CID 104902677

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide (CID 22691033) is (2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide is Cc1cccc(NC(=O)[C@@H](N)CC(C)C)c1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide?
The InChIKey is IYKYGFGOKWZRBZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(2)7-12(14)13(16)15-11-6-4-5-10(3)8-11/h4-6,8-9,12H,7,14H2,1-3H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide?
(2S)-2-amino-4-methyl-N-(3-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-(3-methylphenyl)pentanamide is sourced from PubChem (CID 22691033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).