3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide

C20H23ClN2O3 — CID 113121533

IUPAC3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide
SMILESCOc1ccc(CCN(CCC(=O)Nc2cccc(Cl)c2)C(C)=O)cc1
InChIInChI=1S/C20H23ClN2O3/c1-15(24)23(12-10-16-6-8-19(26-2)9-7-16)13-11-20(25)22-18-5-3-4-17(21)14-18/h3-9,14H,10-13H2,1-2H3,(H,22,25)
InChIKeyQZCKKCIMGWROMF-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.77
Rot. Bonds8

About 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide

3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide (PubChem CID 113121533) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide
PubChem CID113121533
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide
SMILESCOc1ccc(CCN(CCC(=O)Nc2cccc(Cl)c2)C(C)=O)cc1
InChIInChI=1S/C20H23ClN2O3/c1-15(24)23(12-10-16-6-8-19(26-2)9-7-16)13-11-20(25)22-18-5-3-4-17(21)14-18/h3-9,14H,10-13H2,1-2H3,(H,22,25)
InChIKeyQZCKKCIMGWROMF-UHFFFAOYSA-N
XLogP3.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(4-ethylphenyl)propanamide
CID 113123250
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-difluorophenyl)propanamide
CID 113121447
N-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(3-methoxyphenyl)propanamide
CID 113121299
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 113121514
3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide
CID 113120810
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113119982
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113121161
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide
CID 113164937
N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 3604523
3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120836
3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide
CID 113127294

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide (CID 113121533) is 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide is COc1ccc(CCN(CCC(=O)Nc2cccc(Cl)c2)C(C)=O)cc1.
What is the InChIKey of 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide?
The InChIKey is QZCKKCIMGWROMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-15(24)23(12-10-16-6-8-19(26-2)9-7-16)13-11-20(25)22-18-5-3-4-17(21)14-18/h3-9,14H,10-13H2,1-2H3,(H,22,25).
What are the key properties of 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide?
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide has a molecular weight of 374.87 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 113121533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).