3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide

C20H26N2O2 — CID 120609341

IUPAC3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide
SMILESCCCOCc1ccccc1CNC(=O)CCc1ccccc1N
InChIInChI=1S/C20H26N2O2/c1-2-13-24-15-18-9-4-3-8-17(18)14-22-20(23)12-11-16-7-5-6-10-19(16)21/h3-10H,2,11-15,21H2,1H3,(H,22,23)
InChIKeyVHVFKOOSBRYTKK-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.44
Rot. Bonds9

About 3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide

3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide (PubChem CID 120609341) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide
PubChem CID120609341
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide
SMILESCCCOCc1ccccc1CNC(=O)CCc1ccccc1N
InChIInChI=1S/C20H26N2O2/c1-2-13-24-15-18-9-4-3-8-17(18)14-22-20(23)12-11-16-7-5-6-10-19(16)21/h3-10H,2,11-15,21H2,1H3,(H,22,23)
InChIKeyVHVFKOOSBRYTKK-UHFFFAOYSA-N
XLogP3.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide 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-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120609340
4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide
CID 120560690
2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride
CID 119944739
3-(2-aminophenyl)-N-[[2-(methylsulfonylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 120611481
(2S)-2-amino-3,3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]butanamide
CID 119734224
2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120986491
3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride
CID 120609020
3-(2-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 120612330
2-(cyclopropylmethylamino)-N-[[2-(propoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119734225
3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83114772
3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride
CID 120611896
3-(2-aminophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide;hydrochloride
CID 120609935

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide (CID 120609341) is 3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide is CCCOCc1ccccc1CNC(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide?
The InChIKey is VHVFKOOSBRYTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-2-13-24-15-18-9-4-3-8-17(18)14-22-20(23)12-11-16-7-5-6-10-19(16)21/h3-10H,2,11-15,21H2,1H3,(H,22,23).
What are the key properties of 3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide?
3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[[2-(propoxymethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 120609341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).