3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide

C19H22ClNO3 — CID 46478795

IUPAC3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
SMILESCCOc1ccc(CNC(=O)CCc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C19H22ClNO3/c1-3-24-17-10-6-15(12-18(17)23-2)13-21-19(22)11-7-14-4-8-16(20)9-5-14/h4-6,8-10,12H,3,7,11,13H2,1-2H3,(H,21,22)
InChIKeyKCLHELJCTXQHTG-UHFFFAOYSA-N
MW347.84 g/mol
LogP4.00
Rot. Bonds8

About 3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide

3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide (PubChem CID 46478795) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
PubChem CID46478795
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
SMILESCCOc1ccc(CNC(=O)CCc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C19H22ClNO3/c1-3-24-17-10-6-15(12-18(17)23-2)13-21-19(22)11-7-14-4-8-16(20)9-5-14/h4-6,8-10,12H,3,7,11,13H2,1-2H3,(H,21,22)
InChIKeyKCLHELJCTXQHTG-UHFFFAOYSA-N
XLogP4.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 16574764
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
4-[[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]methyl]benzamide
CID 108743920
3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 31948362
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
3-(3,4-dimethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 38019787
2-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
CID 17208570
2-(3,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide
CID 55660605
3-(4-ethoxy-3-methoxyphenyl)-N-(2-methylpropyl)propanamide
CID 19221699
3-(3-amino-4-methoxyphenyl)-N-[(4-chlorophenyl)methyl]propanamide
CID 94759047

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide (CID 46478795) is 3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide is CCOc1ccc(CNC(=O)CCc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide?
The InChIKey is KCLHELJCTXQHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-3-24-17-10-6-15(12-18(17)23-2)13-21-19(22)11-7-14-4-8-16(20)9-5-14/h4-6,8-10,12H,3,7,11,13H2,1-2H3,(H,21,22).
What are the key properties of 3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide?
3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide has a molecular weight of 347.84 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 46478795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).