3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide

C21H26ClNO3 — CID 16574764

IUPAC3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc(CCNC(=O)CCc2ccc(Cl)cc2)cc1OCC
InChIInChI=1S/C21H26ClNO3/c1-3-25-19-11-7-17(15-20(19)26-4-2)13-14-23-21(24)12-8-16-5-9-18(22)10-6-16/h5-7,9-11,15H,3-4,8,12-14H2,1-2H3,(H,23,24)
InChIKeySMXWCIDOLHKICL-UHFFFAOYSA-N
MW375.90 g/mol
LogP4.43
Rot. Bonds10

About 3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide

3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide (PubChem CID 16574764) has the molecular formula C21H26ClNO3 and a molecular weight of 375.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
PubChem CID16574764
Molecular FormulaC21H26ClNO3
Molecular Weight375.90 g/mol
Exact Mass375.16
IUPAC Name3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
SMILESCCOc1ccc(CCNC(=O)CCc2ccc(Cl)cc2)cc1OCC
InChIInChI=1S/C21H26ClNO3/c1-3-25-19-11-7-17(15-20(19)26-4-2)13-14-23-21(24)12-8-16-5-9-18(22)10-6-16/h5-7,9-11,15H,3-4,8,12-14H2,1-2H3,(H,23,24)
InChIKeySMXWCIDOLHKICL-UHFFFAOYSA-N
XLogP4.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]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

1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954
3-(3,4-diethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 38001101
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221763
3-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
CID 46478795
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561758
2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
CID 40903482
N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide
CID 100541611
2-(3-chlorophenoxy)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
CID 7818885
N-[3-(2-chlorophenyl)propyl]-3-(3,4-diethoxyphenyl)propanamide
CID 43908360
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112763526
3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 92680043
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide (CID 16574764) is 3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide is CCOc1ccc(CCNC(=O)CCc2ccc(Cl)cc2)cc1OCC.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide?
The InChIKey is SMXWCIDOLHKICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO3/c1-3-25-19-11-7-17(15-20(19)26-4-2)13-14-23-21(24)12-8-16-5-9-18(22)10-6-16/h5-7,9-11,15H,3-4,8,12-14H2,1-2H3,(H,23,24).
What are the key properties of 3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide?
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide has a molecular weight of 375.90 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 16574764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).