4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide

C14H22N2O2 — CID 113266036

IUPAC4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
SMILESCOc1ccccc1CCNC(=O)CC(C)CN
InChIInChI=1S/C14H22N2O2/c1-11(10-15)9-14(17)16-8-7-12-5-3-4-6-13(12)18-2/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)
InChIKeySQRZKBJCSIWFTR-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.34
Rot. Bonds7

About 4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide

4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide (PubChem CID 113266036) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
PubChem CID113266036
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
SMILESCOc1ccccc1CCNC(=O)CC(C)CN
InChIInChI=1S/C14H22N2O2/c1-11(10-15)9-14(17)16-8-7-12-5-3-4-6-13(12)18-2/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)
InChIKeySQRZKBJCSIWFTR-UHFFFAOYSA-N
XLogP1.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-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

5-amino-N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 106260751
N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide
CID 112993457
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
2-amino-N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]acetamide
CID 103629773
N-(5-amino-4-methylpentyl)-2-(2-methoxyphenyl)acetamide
CID 106152966
N'-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198802
N-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropylamino)propanamide
CID 109012770
2-bromo-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 106260318
N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112766496
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119687194

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide (CID 113266036) is 4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide is COc1ccccc1CCNC(=O)CC(C)CN.
What is the InChIKey of 4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide?
The InChIKey is SQRZKBJCSIWFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(10-15)9-14(17)16-8-7-12-5-3-4-6-13(12)18-2/h3-6,11H,7-10,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide?
4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 113266036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).