(2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide

C19H23NO2 — CID 94843687

IUPAC(2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide
SMILESCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2)c(C)c1
InChIInChI=1S/C19H23NO2/c1-13-10-11-18(14(2)12-13)15(3)20-19(21)16(4)22-17-8-6-5-7-9-17/h5-12,15-16H,1-4H3,(H,20,21)/t15-,16-/m1/s1
InChIKeyAGTDDKNOJBFIPJ-HZPDHXFCSA-N
MW297.40 g/mol
LogP3.95
Rot. Bonds5

About (2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide

(2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide (PubChem CID 94843687) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide
PubChem CID94843687
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide
SMILESCc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2)c(C)c1
InChIInChI=1S/C19H23NO2/c1-13-10-11-18(14(2)12-13)15(3)20-19(21)16(4)22-17-8-6-5-7-9-17/h5-12,15-16H,1-4H3,(H,20,21)/t15-,16-/m1/s1
InChIKeyAGTDDKNOJBFIPJ-HZPDHXFCSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.95
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)-2-(4-bromophenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94843709
2-phenoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 133220210
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide
CID 99132936
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 17327709
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 94843723
(2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 94843715
N-[1-(2,4-dimethylphenyl)propyl]-2-(3-methylphenoxy)propanamide
CID 132651072
(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 99130938
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
2-(2,4-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133231101

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide?
The IUPAC name of (2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide (CID 94843687) is (2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide?
The canonical SMILES for (2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide is Cc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2)c(C)c1.
What is the InChIKey of (2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide?
The InChIKey is AGTDDKNOJBFIPJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13-10-11-18(14(2)12-13)15(3)20-19(21)16(4)22-17-8-6-5-7-9-17/h5-12,15-16H,1-4H3,(H,20,21)/t15-,16-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide?
(2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide has a molecular weight of 297.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide is sourced from PubChem (CID 94843687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).