2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide

C13H20N2O2 — CID 79796724

IUPAC2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1cccc(COC)c1
InChIInChI=1S/C13H20N2O2/c1-4-13(2,14)12(16)15-11-7-5-6-10(8-11)9-17-3/h5-8H,4,9,14H2,1-3H3,(H,15,16)
InChIKeyIXJLWCNDAJMRJF-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.90
Rot. Bonds5

About 2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide

2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide (PubChem CID 79796724) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide
PubChem CID79796724
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1cccc(COC)c1
InChIInChI=1S/C13H20N2O2/c1-4-13(2,14)12(16)15-11-7-5-6-10(8-11)9-17-3/h5-8H,4,9,14H2,1-3H3,(H,15,16)
InChIKeyIXJLWCNDAJMRJF-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide 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

3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide
CID 65264450
2-amino-2-methyl-N-(3-propan-2-ylphenyl)butanamide
CID 79797513
2-amino-2-methyl-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 79797461
2-amino-N-(3-cyanophenyl)-2-methylbutanamide
CID 79796861
2-amino-N-[3-(imidazol-1-ylmethyl)phenyl]-2-methylbutanamide
CID 79797789
2-amino-2-methyl-N-(3-nitrophenyl)butanamide
CID 79797596
2-amino-2-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 79804776
2-amino-N-[3-(2-methoxyethylsulfinylmethyl)phenyl]-2-methylpentanamide
CID 119790069
2-[3-(methoxymethyl)anilino]-2-methylpropanoic acid
CID 114994953
4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497
2-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]-2-methylpentanamide;hydrochloride
CID 119739977
2-hydroxy-3-[3-(methoxymethyl)anilino]-2-methylpropanoic acid
CID 104644204

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide?
The IUPAC name of 2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide (CID 79796724) is 2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide?
The canonical SMILES for 2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide is CCC(C)(N)C(=O)Nc1cccc(COC)c1.
What is the InChIKey of 2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide?
The InChIKey is IXJLWCNDAJMRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-13(2,14)12(16)15-11-7-5-6-10(8-11)9-17-3/h5-8H,4,9,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide?
2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide has a molecular weight of 236.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(methoxymethyl)phenyl]-2-methylbutanamide is sourced from PubChem (CID 79796724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).