(2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide

C13H18N2O2 — CID 79013260

IUPAC(2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](N)C(C)C)c1
InChIInChI=1S/C13H18N2O2/c1-8(2)12(14)13(17)15-11-6-4-5-10(7-11)9(3)16/h4-8,12H,14H2,1-3H3,(H,15,17)/t12-/m1/s1
InChIKeyDIAJBTLLVLHHPN-GFCCVEGCSA-N
MW234.30 g/mol
LogP1.81
Rot. Bonds4

About (2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide

(2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide (PubChem CID 79013260) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide
PubChem CID79013260
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide
SMILESCC(=O)c1cccc(NC(=O)[C@H](N)C(C)C)c1
InChIInChI=1S/C13H18N2O2/c1-8(2)12(14)13(17)15-11-6-4-5-10(7-11)9(3)16/h4-8,12H,14H2,1-3H3,(H,15,17)/t12-/m1/s1
InChIKeyDIAJBTLLVLHHPN-GFCCVEGCSA-N
XLogP1.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride
CID 119277862
(2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 28973657
3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide
CID 43700232
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-propylbenzamide
CID 79011822
2-amino-N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
CID 61252448
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-methylbutanamide
CID 61179301
2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide
CID 17424287
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
3-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-(3-amino-3-oxopropyl)benzamide;hydrochloride
CID 119318176
(2S)-2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 22690700
3-(2-aminopropanoylamino)benzamide
CID 61258270
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 61178920

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide?
The IUPAC name of (2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide (CID 79013260) is (2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide.
What is the SMILES notation for (2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide?
The canonical SMILES for (2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide is CC(=O)c1cccc(NC(=O)[C@H](N)C(C)C)c1.
What is the InChIKey of (2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide?
The InChIKey is DIAJBTLLVLHHPN-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8(2)12(14)13(17)15-11-6-4-5-10(7-11)9(3)16/h4-8,12H,14H2,1-3H3,(H,15,17)/t12-/m1/s1.
What are the key properties of (2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide?
(2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide has a molecular weight of 234.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide is sourced from PubChem (CID 79013260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).