3-(2-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide

C20H25NO2 — CID 86888872

IUPAC3-(2-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
SMILESCc1ccccc1CCC(=O)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C20H25NO2/c1-15(2)23-19-10-6-8-17(13-19)14-21-20(22)12-11-18-9-5-4-7-16(18)3/h4-10,13,15H,11-12,14H2,1-3H3,(H,21,22)
InChIKeyLUGJUSRARVJAGR-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.03
Rot. Bonds7

About 3-(2-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide

3-(2-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide (PubChem CID 86888872) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
PubChem CID86888872
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name3-(2-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
SMILESCc1ccccc1CCC(=O)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C20H25NO2/c1-15(2)23-19-10-6-8-17(13-19)14-21-20(22)12-11-18-9-5-4-7-16(18)3/h4-10,13,15H,11-12,14H2,1-3H3,(H,21,22)
InChIKeyLUGJUSRARVJAGR-UHFFFAOYSA-N
XLogP4.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-methylphenyl)-N-[(3-propan-2-yloxyphenyl)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

2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 53283832
2-methyl-1-[(2-methylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]guanidine
CID 111360583
3-(1,3-benzodioxol-5-yl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 53288815
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
CID 110755878
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53286851
3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
CID 63283832
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(2-methylphenyl)propanamide
CID 110663371
tert-butyl N-[2-[3-[[3-(2-methylphenyl)propanoylamino]methyl]anilino]-2-oxoethyl]carbamate
CID 108918569
2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53288701
(2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99132965
3-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 109019095
(2S)-2-naphthalen-2-yloxy-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99131030

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of 3-(2-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide (CID 86888872) is 3-(2-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(2-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide is Cc1ccccc1CCC(=O)NCc1cccc(OC(C)C)c1.
What is the InChIKey of 3-(2-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide?
The InChIKey is LUGJUSRARVJAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15(2)23-19-10-6-8-17(13-19)14-21-20(22)12-11-18-9-5-4-7-16(18)3/h4-10,13,15H,11-12,14H2,1-3H3,(H,21,22).
What are the key properties of 3-(2-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide?
3-(2-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide has a molecular weight of 311.43 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 86888872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).