(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)-3-methylpentanamide

C13H19BrN2O2 — CID 113314970

IUPAC(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccc(Br)c(OC)c1
InChIInChI=1S/C13H19BrN2O2/c1-4-8(2)12(15)13(17)16-9-5-6-10(14)11(7-9)18-3/h5-8,12H,4,15H2,1-3H3,(H,16,17)/t8?,12-/m0/s1
InChIKeyJKXPFXJJFDCSAN-MYIOLCAUSA-N
MW315.21 g/mol
LogP2.77
Rot. Bonds5

About (2S)-2-amino-N-(4-bromo-3-methoxyphenyl)-3-methylpentanamide

(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)-3-methylpentanamide (PubChem CID 113314970) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-bromo-3-methoxyphenyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)-3-methylpentanamide
PubChem CID113314970
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1ccc(Br)c(OC)c1
InChIInChI=1S/C13H19BrN2O2/c1-4-8(2)12(15)13(17)16-9-5-6-10(14)11(7-9)18-3/h5-8,12H,4,15H2,1-3H3,(H,16,17)/t8?,12-/m0/s1
InChIKeyJKXPFXJJFDCSAN-MYIOLCAUSA-N
XLogP2.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-(4-bromo-3-methoxyphenyl)-3-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
CID 42313650
(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride
CID 119290157
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-methoxybenzoic acid
CID 107208045
(2S)-2-amino-N-(4-bromo-3-fluorophenyl)-3-methylpentanamide
CID 65437911
2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide
CID 24707805
2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
CID 115443247
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
(2R)-2-amino-N-(4-bromo-3-methoxyphenyl)-2-phenylacetamide
CID 81425486
4-amino-5-(4-bromo-3-methoxyanilino)-5-oxopentanoic acid
CID 82867308
N-(4-bromo-3-methoxyphenyl)-3-methyl-2-sulfanylbutanamide
CID 107033761
(2S,3S)-2-amino-N-(5-bromo-2-methoxyphenyl)-3-methylpentanamide
CID 54967599
2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide
CID 119699423

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-bromo-3-methoxyphenyl)-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(4-bromo-3-methoxyphenyl)-3-methylpentanamide (CID 113314970) is (2S)-2-amino-N-(4-bromo-3-methoxyphenyl)-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-bromo-3-methoxyphenyl)-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(4-bromo-3-methoxyphenyl)-3-methylpentanamide is CCC(C)[C@H](N)C(=O)Nc1ccc(Br)c(OC)c1.
What is the InChIKey of (2S)-2-amino-N-(4-bromo-3-methoxyphenyl)-3-methylpentanamide?
The InChIKey is JKXPFXJJFDCSAN-MYIOLCAUSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-4-8(2)12(15)13(17)16-9-5-6-10(14)11(7-9)18-3/h5-8,12H,4,15H2,1-3H3,(H,16,17)/t8?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-bromo-3-methoxyphenyl)-3-methylpentanamide?
(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)-3-methylpentanamide has a molecular weight of 315.21 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-bromo-3-methoxyphenyl)-3-methylpentanamide is sourced from PubChem (CID 113314970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).