3-(2-chlorophenoxy)-N-[1-(2-ethoxy-5-methylphenyl)ethyl]propanamide

C20H24ClNO3 — CID 108789416

IUPAC3-(2-chlorophenoxy)-N-[1-(2-ethoxy-5-methylphenyl)ethyl]propanamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)CCOc1ccccc1Cl
InChIInChI=1S/C20H24ClNO3/c1-4-24-18-10-9-14(2)13-16(18)15(3)22-20(23)11-12-25-19-8-6-5-7-17(19)21/h5-10,13,15H,4,11-12H2,1-3H3,(H,22,23)
InChIKeyNHUFWTLLTACJGS-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.69
Rot. Bonds8

About 3-(2-chlorophenoxy)-N-[1-(2-ethoxy-5-methylphenyl)ethyl]propanamide

3-(2-chlorophenoxy)-N-[1-(2-ethoxy-5-methylphenyl)ethyl]propanamide (PubChem CID 108789416) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)-N-[1-(2-ethoxy-5-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenoxy)-N-[1-(2-ethoxy-5-methylphenyl)ethyl]propanamide
PubChem CID108789416
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name3-(2-chlorophenoxy)-N-[1-(2-ethoxy-5-methylphenyl)ethyl]propanamide
SMILESCCOc1ccc(C)cc1C(C)NC(=O)CCOc1ccccc1Cl
InChIInChI=1S/C20H24ClNO3/c1-4-24-18-10-9-14(2)13-16(18)15(3)22-20(23)11-12-25-19-8-6-5-7-17(19)21/h5-10,13,15H,4,11-12H2,1-3H3,(H,22,23)
InChIKeyNHUFWTLLTACJGS-UHFFFAOYSA-N
XLogP4.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1R)-1-(2-ethoxy-5-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 42219989
3-(2-ethoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 9264272
3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 108789414
2-(2-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327655
2-[3-(2-chlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 43353996
2-[3-(2-chlorophenoxy)propanoylamino]butanoic acid
CID 43469356
methyl 2-[3-(2-chlorophenoxy)propanoylamino]propanoate
CID 60753235
(Z)-3-(2-chloroanilino)-2-cyano-N-[1-(2-ethoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 108847673
3-(2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 39087955
2-(2-chloro-5-methylphenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 24550405
N-[1-(2-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)acetamide
CID 24543941
3-(2-chlorophenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103798898

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)-N-[1-(2-ethoxy-5-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-(2-chlorophenoxy)-N-[1-(2-ethoxy-5-methylphenyl)ethyl]propanamide (CID 108789416) is 3-(2-chlorophenoxy)-N-[1-(2-ethoxy-5-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenoxy)-N-[1-(2-ethoxy-5-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-chlorophenoxy)-N-[1-(2-ethoxy-5-methylphenyl)ethyl]propanamide is CCOc1ccc(C)cc1C(C)NC(=O)CCOc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenoxy)-N-[1-(2-ethoxy-5-methylphenyl)ethyl]propanamide?
The InChIKey is NHUFWTLLTACJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-4-24-18-10-9-14(2)13-16(18)15(3)22-20(23)11-12-25-19-8-6-5-7-17(19)21/h5-10,13,15H,4,11-12H2,1-3H3,(H,22,23).
What are the key properties of 3-(2-chlorophenoxy)-N-[1-(2-ethoxy-5-methylphenyl)ethyl]propanamide?
3-(2-chlorophenoxy)-N-[1-(2-ethoxy-5-methylphenyl)ethyl]propanamide has a molecular weight of 361.87 g/mol, XLogP of 4.69, 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-[1-(2-ethoxy-5-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 108789416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).