(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide

C20H25NO2 — CID 28564545

IUPAC(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide
SMILESCC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-5-18(23-19-13-14(2)11-12-15(19)3)20(22)21-16(4)17-9-7-6-8-10-17/h6-13,16,18H,5H2,1-4H3,(H,21,22)/t16-,18+/m1/s1
InChIKeyQOWLNOCLTFESJP-AEFFLSMTSA-N
MW311.43 g/mol
LogP4.34
Rot. Bonds6

About (2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide

(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide (PubChem CID 28564545) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide
PubChem CID28564545
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide
SMILESCC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C20H25NO2/c1-5-18(23-19-13-14(2)11-12-15(19)3)20(22)21-16(4)17-9-7-6-8-10-17/h6-13,16,18H,5H2,1-4H3,(H,21,22)/t16-,18+/m1/s1
InChIKeyQOWLNOCLTFESJP-AEFFLSMTSA-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

(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 93487474
2-[[(2R)-2-(2,5-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 94012214
(2R)-2-(2,5-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 28574923
(2S)-2-(2,5-dimethylphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide
CID 28574921
(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99133147
N-[1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
CID 17327347
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
CID 92682866
(2S)-2-(2-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132352
2-(2,4-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53289006
2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide
CID 53284304
(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-phenoxybutanamide
CID 26171764
(2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132269

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide?
The IUPAC name of (2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide (CID 28564545) is (2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide.
What is the SMILES notation for (2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide?
The canonical SMILES for (2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide is CC[C@H](Oc1cc(C)ccc1C)C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of (2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide?
The InChIKey is QOWLNOCLTFESJP-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H25NO2/c1-5-18(23-19-13-14(2)11-12-15(19)3)20(22)21-16(4)17-9-7-6-8-10-17/h6-13,16,18H,5H2,1-4H3,(H,21,22)/t16-,18+/m1/s1.
What are the key properties of (2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide?
(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide 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 (2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide is sourced from PubChem (CID 28564545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).