3-(3-chlorophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]propanamide

C22H26ClNO2 — CID 86833759

IUPAC3-(3-chlorophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]propanamide
SMILESCc1ccccc1C1(CNC(=O)CCc2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C22H26ClNO2/c1-17-5-2-3-8-20(17)22(11-13-26-14-12-22)16-24-21(25)10-9-18-6-4-7-19(23)15-18/h2-8,15H,9-14,16H2,1H3,(H,24,25)
InChIKeyVLPQTJZECWNAAX-UHFFFAOYSA-N
MW371.91 g/mol
LogP4.45
Rot. Bonds6

About 3-(3-chlorophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]propanamide

3-(3-chlorophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]propanamide (PubChem CID 86833759) has the molecular formula C22H26ClNO2 and a molecular weight of 371.91 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]propanamide
PubChem CID86833759
Molecular FormulaC22H26ClNO2
Molecular Weight371.91 g/mol
Exact Mass371.17
IUPAC Name3-(3-chlorophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]propanamide
SMILESCc1ccccc1C1(CNC(=O)CCc2cccc(Cl)c2)CCOCC1
InChIInChI=1S/C22H26ClNO2/c1-17-5-2-3-8-20(17)22(11-13-26-14-12-22)16-24-21(25)10-9-18-6-4-7-19(23)15-18/h2-8,15H,9-14,16H2,1H3,(H,24,25)
InChIKeyVLPQTJZECWNAAX-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-chlorophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]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-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 154856535
7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide
CID 119749786
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 47071133
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 47071147
2-(4-aminophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 119749794
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide
CID 119749830
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 47071137
3-(3-chlorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]propanamide
CID 110631434
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79039515
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride
CID 119749819
2-methyl-1-[(3-methylphenyl)methyl]-3-[[4-(2-methylphenyl)oxan-4-yl]methyl]guanidine;hydroiodide
CID 111900422

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]propanamide (CID 86833759) is 3-(3-chlorophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]propanamide is Cc1ccccc1C1(CNC(=O)CCc2cccc(Cl)c2)CCOCC1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]propanamide?
The InChIKey is VLPQTJZECWNAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClNO2/c1-17-5-2-3-8-20(17)22(11-13-26-14-12-22)16-24-21(25)10-9-18-6-4-7-19(23)15-18/h2-8,15H,9-14,16H2,1H3,(H,24,25).
What are the key properties of 3-(3-chlorophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]propanamide?
3-(3-chlorophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]propanamide has a molecular weight of 371.91 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]propanamide is sourced from PubChem (CID 86833759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).