(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide

C21H27NO3 — CID 28631604

IUPAC(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
SMILESCC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1cc(C)ccc1C
InChIInChI=1S/C21H27NO3/c1-6-20(25-18-9-7-8-17(13-18)24-5)21(23)22-16(4)19-12-14(2)10-11-15(19)3/h7-13,16,20H,6H2,1-5H3,(H,22,23)/t16-,20+/m0/s1
InChIKeyPSDGQJSENYSDHK-OXJNMPFZSA-N
MW341.45 g/mol
LogP4.35
Rot. Bonds7

About (2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide

(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide (PubChem CID 28631604) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
PubChem CID28631604
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
SMILESCC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1cc(C)ccc1C
InChIInChI=1S/C21H27NO3/c1-6-20(25-18-9-7-8-17(13-18)24-5)21(23)22-16(4)19-12-14(2)10-11-15(19)3/h7-13,16,20H,6H2,1-5H3,(H,22,23)/t16-,20+/m0/s1
InChIKeyPSDGQJSENYSDHK-OXJNMPFZSA-N
XLogP4.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 38016327
(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-phenoxybutanamide
CID 26171764
2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43875959
N-[1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
CID 17327347
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide
CID 99132936
(2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 100766872
(2S)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide
CID 94011676
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-naphthalen-1-yloxybutanamide
CID 28632313
(2R)-2-(3-methoxyphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99131338
(2R)-N-[(2R)-butan-2-yl]-2-(3-methoxyphenoxy)butanamide
CID 38004454
N-[1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 43009880
(2R)-2-(3-methoxyphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569169

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide?
The IUPAC name of (2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide (CID 28631604) is (2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide?
The canonical SMILES for (2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide is CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1cc(C)ccc1C.
What is the InChIKey of (2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide?
The InChIKey is PSDGQJSENYSDHK-OXJNMPFZSA-N. The full InChI is InChI=1S/C21H27NO3/c1-6-20(25-18-9-7-8-17(13-18)24-5)21(23)22-16(4)19-12-14(2)10-11-15(19)3/h7-13,16,20H,6H2,1-5H3,(H,22,23)/t16-,20+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide?
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide has a molecular weight of 341.45 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide is sourced from PubChem (CID 28631604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).