2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide

C14H22N2O2 — CID 115179679

IUPAC2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide
SMILESCN(C(=O)C(N)CO)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)10-5-7-11(8-6-10)16(4)13(18)12(15)9-17/h5-8,12,17H,9,15H2,1-4H3
InChIKeyVQWUYXGXDFHRJR-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.27
Rot. Bonds3

About 2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide

2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide (PubChem CID 115179679) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide
PubChem CID115179679
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide
SMILESCN(C(=O)C(N)CO)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-14(2,3)10-5-7-11(8-6-10)16(4)13(18)12(15)9-17/h5-8,12,17H,9,15H2,1-4H3
InChIKeyVQWUYXGXDFHRJR-UHFFFAOYSA-N
XLogP1.27
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide 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-3-hydroxy-N-methyl-N-(4-methylphenyl)propanamide
CID 115179676
2-amino-3-hydroxy-N-methyl-N-(4-methylsulfanylphenyl)propanamide
CID 115179752
2-amino-N-(5-tert-butyl-2-methylphenyl)-3-hydroxy-N-methylpropanamide
CID 115179704
2-amino-N-(4-ethylsulfanylphenyl)-3-hydroxy-N-methylpropanamide
CID 115179753
4-[[(2S)-2-aminobutanoyl]-methylamino]benzoic acid
CID 113442786
2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide
CID 107734416
2-amino-N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methylpropanamide
CID 115179694
2-acetamido-N-(4-tert-butylphenyl)-N-methylpropanamide
CID 86821523
4-[[(2S)-2-amino-4-methylpentanoyl]-methylamino]benzoic acid
CID 104698691
N-(4-tert-butylphenyl)-N-methylcarbamoyl bromide
CID 115193365
N-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162843
2-amino-N-[(4-tert-butylphenyl)methyl]-N,4-dimethylpentanamide
CID 60936758

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide?
The IUPAC name of 2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide (CID 115179679) is 2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide?
The canonical SMILES for 2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide is CN(C(=O)C(N)CO)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide?
The InChIKey is VQWUYXGXDFHRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)10-5-7-11(8-6-10)16(4)13(18)12(15)9-17/h5-8,12,17H,9,15H2,1-4H3.
What are the key properties of 2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide?
2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-tert-butylphenyl)-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 115179679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).