(2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide

C20H24ClNO2 — CID 94843723

IUPAC(2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c(C)c1
InChIInChI=1S/C20H24ClNO2/c1-12-6-8-18(13(2)10-12)15(4)22-20(23)16(5)24-17-7-9-19(21)14(3)11-17/h6-11,15-16H,1-5H3,(H,22,23)/t15-,16+/m1/s1
InChIKeyOSOVGVSUEQFVOB-CVEARBPZSA-N
MW345.87 g/mol
LogP4.91
Rot. Bonds5

About (2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide

(2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide (PubChem CID 94843723) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is (2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
PubChem CID94843723
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name(2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c(C)c1
InChIInChI=1S/C20H24ClNO2/c1-12-6-8-18(13(2)10-12)15(4)22-20(23)16(5)24-17-7-9-19(21)14(3)11-17/h6-11,15-16H,1-5H3,(H,22,23)/t15-,16+/m1/s1
InChIKeyOSOVGVSUEQFVOB-CVEARBPZSA-N
XLogP4.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 17327709
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 30398925
(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94843709
(2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide
CID 94843687
2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133190294
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 99130938
(2S)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide
CID 94011676
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 7794811
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)propyl]propanamide
CID 17328406
N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide
CID 132656978
(2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 94843715
2-(3,4-dimethylphenoxy)-N-[1-(2,4-dimethylphenyl)propyl]propanamide
CID 132652018

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide (CID 94843723) is (2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide is Cc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c(C)c1.
What is the InChIKey of (2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide?
The InChIKey is OSOVGVSUEQFVOB-CVEARBPZSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-12-6-8-18(13(2)10-12)15(4)22-20(23)16(5)24-17-7-9-19(21)14(3)11-17/h6-11,15-16H,1-5H3,(H,22,23)/t15-,16+/m1/s1.
What are the key properties of (2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide?
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide has a molecular weight of 345.87 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 94843723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).