(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide

C19H22ClNO2 — CID 99130938

IUPAC(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClNO2/c1-12-5-6-13(2)18(11-12)14(3)21-19(22)15(4)23-17-9-7-16(20)8-10-17/h5-11,14-15H,1-4H3,(H,21,22)/t14-,15+/m1/s1
InChIKeyNGYQGEOCXLWRFA-CABCVRRESA-N
MW331.84 g/mol
LogP4.60
Rot. Bonds5

About (2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide

(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide (PubChem CID 99130938) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
PubChem CID99130938
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClNO2/c1-12-5-6-13(2)18(11-12)14(3)21-19(22)15(4)23-17-9-7-16(20)8-10-17/h5-11,14-15H,1-4H3,(H,21,22)/t14-,15+/m1/s1
InChIKeyNGYQGEOCXLWRFA-CABCVRRESA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 30398925
(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100726668
(2R)-2-(2-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 94843604
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94843723
(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 93487500
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94018683
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-chlorophenyl)ethyl]propanamide
CID 8751655
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 17327709
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 99130674
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide (CID 99130938) is (2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide is Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide?
The InChIKey is NGYQGEOCXLWRFA-CABCVRRESA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-12-5-6-13(2)18(11-12)14(3)21-19(22)15(4)23-17-9-7-16(20)8-10-17/h5-11,14-15H,1-4H3,(H,21,22)/t14-,15+/m1/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide?
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide has a molecular weight of 331.84 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 99130938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).