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

C20H23ClN2O3 — CID 46520293

IUPAC3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCCc2ccc(Cl)cc2)NC(C)=O)cc1
InChIInChI=1S/C20H23ClN2O3/c1-14(24)23-19(16-5-9-18(26-2)10-6-16)13-20(25)22-12-11-15-3-7-17(21)8-4-15/h3-10,19H,11-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyNRDHIDSVCAIBQF-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.27
Rot. Bonds8

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

3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 46520293) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID46520293
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCCc2ccc(Cl)cc2)NC(C)=O)cc1
InChIInChI=1S/C20H23ClN2O3/c1-14(24)23-19(16-5-9-18(26-2)10-6-16)13-20(25)22-12-11-15-3-7-17(21)8-4-15/h3-10,19H,11-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyNRDHIDSVCAIBQF-UHFFFAOYSA-N
XLogP3.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide (CID 46520293) is 3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(C(CC(=O)NCCc2ccc(Cl)cc2)NC(C)=O)cc1.
What is the InChIKey of 3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is NRDHIDSVCAIBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-14(24)23-19(16-5-9-18(26-2)10-6-16)13-20(25)22-12-11-15-3-7-17(21)8-4-15/h3-10,19H,11-13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide?
3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 374.87 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 46520293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).