2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide

C14H22N2O2 — CID 114172133

IUPAC2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCC(O)C(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-9(2)12(17)8-16-14(18)13(15)11-6-4-10(3)5-7-11/h4-7,9,12-13,17H,8,15H2,1-3H3,(H,16,18)
InChIKeyUXXYLUDAURNBLI-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.13
Rot. Bonds5

About 2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide

2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide (PubChem CID 114172133) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide
PubChem CID114172133
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCC(O)C(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-9(2)12(17)8-16-14(18)13(15)11-6-4-10(3)5-7-11/h4-7,9,12-13,17H,8,15H2,1-3H3,(H,16,18)
InChIKeyUXXYLUDAURNBLI-UHFFFAOYSA-N
XLogP1.13
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide 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-2-(4-methylphenyl)-N-[2-(4-methylphenyl)propyl]acetamide
CID 120668682
2-amino-N-[2-(4-methylphenoxy)propyl]-2-(4-methylphenyl)acetamide
CID 120667389
2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-(4-methylphenyl)acetamide
CID 106312263
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide
CID 106151324
(2R)-2-amino-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 119293211
2-amino-2-(4-methylphenyl)-N-pent-3-ynylacetamide
CID 106312753
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide
CID 106151202
2-amino-2-(4-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]acetamide
CID 120670632
2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114150555
2-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120670120
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 93083385

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide (CID 114172133) is 2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)NCC(O)C(C)C)cc1.
What is the InChIKey of 2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide?
The InChIKey is UXXYLUDAURNBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)12(17)8-16-14(18)13(15)11-6-4-10(3)5-7-11/h4-7,9,12-13,17H,8,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide?
2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 114172133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).