2-amino-N-(2-hydroxy-4-methoxyphenyl)-2-methylpentanamide

C13H20N2O3 — CID 102695178

IUPAC2-amino-N-(2-hydroxy-4-methoxyphenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc(OC)cc1O
InChIInChI=1S/C13H20N2O3/c1-4-7-13(2,14)12(17)15-10-6-5-9(18-3)8-11(10)16/h5-6,8,16H,4,7,14H2,1-3H3,(H,15,17)
InChIKeyRSMBFLSTXOYFHK-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.86
Rot. Bonds5

About 2-amino-N-(2-hydroxy-4-methoxyphenyl)-2-methylpentanamide

2-amino-N-(2-hydroxy-4-methoxyphenyl)-2-methylpentanamide (PubChem CID 102695178) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-4-methoxyphenyl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-4-methoxyphenyl)-2-methylpentanamide
PubChem CID102695178
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-N-(2-hydroxy-4-methoxyphenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc(OC)cc1O
InChIInChI=1S/C13H20N2O3/c1-4-7-13(2,14)12(17)15-10-6-5-9(18-3)8-11(10)16/h5-6,8,16H,4,7,14H2,1-3H3,(H,15,17)
InChIKeyRSMBFLSTXOYFHK-UHFFFAOYSA-N
XLogP1.86
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-amino-N-(2-hydroxy-4-methoxyphenyl)-2-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

2-amino-N-(4-methoxy-2-methylphenyl)-2-methylpentanamide;hydrochloride
CID 119709502
2-amino-N-(4-methoxy-2-nitrophenyl)-2-methylpentanamide
CID 60848957
6-amino-N-(2-hydroxy-4-methoxyphenyl)-4,4-dimethylhexanamide
CID 102695165
2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)-2-methylpentanamide
CID 119757908
2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpentanamide
CID 119778135
2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 60848199
2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)-2-methylpentanamide
CID 81433265
2-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61157007
2-amino-N-[2-(3-methoxyphenoxy)propyl]-2-methylpentanamide;hydrochloride
CID 119804565
methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate
CID 60848240
N-(2-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 154796139
N-(2-hydroxy-4-methoxyphenyl)-3-(methylamino)propanamide
CID 102695280

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-4-methoxyphenyl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(2-hydroxy-4-methoxyphenyl)-2-methylpentanamide (CID 102695178) is 2-amino-N-(2-hydroxy-4-methoxyphenyl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-4-methoxyphenyl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-4-methoxyphenyl)-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1ccc(OC)cc1O.
What is the InChIKey of 2-amino-N-(2-hydroxy-4-methoxyphenyl)-2-methylpentanamide?
The InChIKey is RSMBFLSTXOYFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-7-13(2,14)12(17)15-10-6-5-9(18-3)8-11(10)16/h5-6,8,16H,4,7,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-N-(2-hydroxy-4-methoxyphenyl)-2-methylpentanamide?
2-amino-N-(2-hydroxy-4-methoxyphenyl)-2-methylpentanamide has a molecular weight of 252.31 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-4-methoxyphenyl)-2-methylpentanamide is sourced from PubChem (CID 102695178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).