2-amino-3-methyl-N-phenylbutanamide;hydrochloride

C11H17ClN2O — CID 53409039

IUPAC2-amino-3-methyl-N-phenylbutanamide;hydrochloride
SMILESCC(C)C(N)C(=O)Nc1ccccc1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-8(2)10(12)11(14)13-9-6-4-3-5-7-9;/h3-8,10H,12H2,1-2H3,(H,13,14);1H
InChIKeyPFWNTOZICPWSMJ-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.03
Rot. Bonds3

About 2-amino-3-methyl-N-phenylbutanamide;hydrochloride

2-amino-3-methyl-N-phenylbutanamide;hydrochloride (PubChem CID 53409039) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-amino-3-methyl-N-phenylbutanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-phenylbutanamide;hydrochloride
PubChem CID53409039
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name2-amino-3-methyl-N-phenylbutanamide;hydrochloride
SMILESCC(C)C(N)C(=O)Nc1ccccc1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-8(2)10(12)11(14)13-9-6-4-3-5-7-9;/h3-8,10H,12H2,1-2H3,(H,13,14);1H
InChIKeyPFWNTOZICPWSMJ-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-phenylpropanamide
CID 10607114
4-[[(2S)-2-amino-3-methylbutanoyl]amino]benzamide
CID 22690703
(2S)-2-amino-N-[3-(carbamoylamino)phenyl]-3-methylbutanamide;hydrochloride
CID 119277862
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324
(2R)-2-amino-3-methyl-N-naphthalen-2-ylbutanamide
CID 671224
(2R)-N-(3-acetylphenyl)-2-amino-3-methylbutanamide
CID 79013260
2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119280468
(2R)-2-amino-3-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 28973657
1-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 103930629
(2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
CID 79011946
2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119262319
4-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-methylbenzamide
CID 79011407

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-phenylbutanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-phenylbutanamide;hydrochloride (CID 53409039) is 2-amino-3-methyl-N-phenylbutanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-phenylbutanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-phenylbutanamide;hydrochloride is CC(C)C(N)C(=O)Nc1ccccc1.Cl.
What is the InChIKey of 2-amino-3-methyl-N-phenylbutanamide;hydrochloride?
The InChIKey is PFWNTOZICPWSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c1-8(2)10(12)11(14)13-9-6-4-3-5-7-9;/h3-8,10H,12H2,1-2H3,(H,13,14);1H.
What are the key properties of 2-amino-3-methyl-N-phenylbutanamide;hydrochloride?
2-amino-3-methyl-N-phenylbutanamide;hydrochloride has a molecular weight of 228.72 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-phenylbutanamide;hydrochloride is sourced from PubChem (CID 53409039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).