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

C18H20ClNO3 — CID 39088895

IUPAC3-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCOc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClNO3/c1-22-15-8-6-14(7-9-15)10-12-20-18(21)11-13-23-17-5-3-2-4-16(17)19/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyRHZVAUMHAAUDOF-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.48
Rot. Bonds8

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

3-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 39088895) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID39088895
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name3-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCOc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClNO3/c1-22-15-8-6-14(7-9-15)10-12-20-18(21)11-13-23-17-5-3-2-4-16(17)19/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyRHZVAUMHAAUDOF-UHFFFAOYSA-N
XLogP3.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9140053
N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyphenoxy)propanamide;hydrochloride
CID 119548049
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 3613637
N-[2-[4-[2-(2-chlorophenoxy)ethoxy]phenyl]ethyl]-2-cyanoacetamide
CID 22680206
2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7847687
N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119383062
3-(2-chlorophenoxy)-N-decylpropanamide
CID 108789478
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-methoxyphenoxy)propanamide
CID 24644486
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
3-(2-chlorophenoxy)-N-[2-(diethylamino)ethyl]propanamide
CID 108789454
N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 748766
3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2634604

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 39088895) is 3-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCOc2ccccc2Cl)cc1.
What is the InChIKey of 3-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is RHZVAUMHAAUDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-22-15-8-6-14(7-9-15)10-12-20-18(21)11-13-23-17-5-3-2-4-16(17)19/h2-9H,10-13H2,1H3,(H,20,21).
What are the key properties of 3-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
3-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 333.82 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 39088895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).