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

C20H25NO2 — CID 99132936

IUPAC(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(C)cc1C
InChIInChI=1S/C20H25NO2/c1-5-19(23-17-9-7-6-8-10-17)20(22)21-16(4)18-12-11-14(2)13-15(18)3/h6-13,16,19H,5H2,1-4H3,(H,21,22)/t16-,19+/m0/s1
InChIKeySBRKSWOONKNKDK-QFBILLFUSA-N
MW311.43 g/mol
LogP4.34
Rot. Bonds6

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

(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide (PubChem CID 99132936) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide
PubChem CID99132936
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(C)cc1C
InChIInChI=1S/C20H25NO2/c1-5-19(23-17-9-7-6-8-10-17)20(22)21-16(4)18-12-11-14(2)13-15(18)3/h6-13,16,19H,5H2,1-4H3,(H,21,22)/t16-,19+/m0/s1
InChIKeySBRKSWOONKNKDK-QFBILLFUSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-phenoxybutanamide
CID 26171764
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 38019155
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 92671756
(2S)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide
CID 94011676
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
CID 92682866
(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide
CID 94020068
(2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide
CID 94843687
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 38016327
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 28631604
(2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 7366385
2-(3-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)propyl]butanamide
CID 132654216
N-[1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
CID 17327347

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide?
The IUPAC name of (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide (CID 99132936) is (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide?
The canonical SMILES for (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide is CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(C)cc1C.
What is the InChIKey of (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide?
The InChIKey is SBRKSWOONKNKDK-QFBILLFUSA-N. The full InChI is InChI=1S/C20H25NO2/c1-5-19(23-17-9-7-6-8-10-17)20(22)21-16(4)18-12-11-14(2)13-15(18)3/h6-13,16,19H,5H2,1-4H3,(H,21,22)/t16-,19+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide?
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide has a molecular weight of 311.43 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide is sourced from PubChem (CID 99132936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).