N-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide

C13H20N2O — CID 66969308

IUPACN-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide
SMILESCC(C)[C@H](N)CNC(=O)Cc1ccccc1
InChIInChI=1S/C13H20N2O/c1-10(2)12(14)9-15-13(16)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyYRICRCQLOFEISX-GFCCVEGCSA-N
MW220.32 g/mol
LogP1.33
Rot. Bonds5

About N-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide

N-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide (PubChem CID 66969308) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide
PubChem CID66969308
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide
SMILESCC(C)[C@H](N)CNC(=O)Cc1ccccc1
InChIInChI=1S/C13H20N2O/c1-10(2)12(14)9-15-13(16)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3,(H,15,16)/t12-/m1/s1
InChIKeyYRICRCQLOFEISX-GFCCVEGCSA-N
XLogP1.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-amino-3-phenylpropyl]-2-phenylacetamide
CID 42645987
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-2-phenylacetamide;hydrochloride
CID 119657837
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-2-phenylacetamide
CID 120829825
N-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide
CID 119996452
N-(2-amino-3-hydroxybutyl)-2-(3-methylphenyl)acetamide
CID 64540830
N-(3-amino-4-methylpentyl)-N-methyl-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 119657358
N-[(2S)-2-amino-3-methylpentyl]-2-pyridin-4-ylacetamide
CID 67292667
2-phenyl-N-[[(2-phenylacetyl)amino]methyl]acetamide
CID 13210427
N-(3-chloro-2-hydroxypropyl)-2-phenylacetamide
CID 131843314
N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 69484472
(2S)-3-methyl-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]butanoic acid
CID 40551618
tert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate
CID 86611436

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide?
The IUPAC name of N-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide (CID 66969308) is N-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide.
What is the SMILES notation for N-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide?
The canonical SMILES for N-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide is CC(C)[C@H](N)CNC(=O)Cc1ccccc1.
What is the InChIKey of N-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide?
The InChIKey is YRICRCQLOFEISX-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)12(14)9-15-13(16)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3,(H,15,16)/t12-/m1/s1.
What are the key properties of N-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide?
N-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide has a molecular weight of 220.32 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide is sourced from PubChem (CID 66969308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).