(2S)-2-(2-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide

C20H25NO3 — CID 99132352

IUPAC(2S)-2-(2-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
SMILESCC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc(C)cc1
InChIInChI=1S/C20H25NO3/c1-5-17(24-19-9-7-6-8-18(19)23-4)20(22)21-15(3)16-12-10-14(2)11-13-16/h6-13,15,17H,5H2,1-4H3,(H,21,22)/t15-,17-/m0/s1
InChIKeyJPGOWCMQYHNRSD-RDJZCZTQSA-N
MW327.42 g/mol
LogP4.04
Rot. Bonds7

About (2S)-2-(2-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide

(2S)-2-(2-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide (PubChem CID 99132352) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (2S)-2-(2-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
PubChem CID99132352
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(2S)-2-(2-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
SMILESCC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc(C)cc1
InChIInChI=1S/C20H25NO3/c1-5-17(24-19-9-7-6-8-18(19)23-4)20(22)21-15(3)16-12-10-14(2)11-13-16/h6-13,15,17H,5H2,1-4H3,(H,21,22)/t15-,17-/m0/s1
InChIKeyJPGOWCMQYHNRSD-RDJZCZTQSA-N
XLogP4.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
CID 99132356
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
CID 99132357
(2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132269
2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43875959
(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99133147
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methoxyphenoxy)butanamide
CID 133230477
2-(2-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide
CID 133250067
(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide
CID 28564545
(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 93487474
(2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 92679849
(2S)-2-(3,5-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99133215
(2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132381

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide?
The IUPAC name of (2S)-2-(2-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide (CID 99132352) is (2S)-2-(2-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-(2-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide?
The canonical SMILES for (2S)-2-(2-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide is CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc(C)cc1.
What is the InChIKey of (2S)-2-(2-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide?
The InChIKey is JPGOWCMQYHNRSD-RDJZCZTQSA-N. The full InChI is InChI=1S/C20H25NO3/c1-5-17(24-19-9-7-6-8-18(19)23-4)20(22)21-15(3)16-12-10-14(2)11-13-16/h6-13,15,17H,5H2,1-4H3,(H,21,22)/t15-,17-/m0/s1.
What are the key properties of (2S)-2-(2-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide?
(2S)-2-(2-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide has a molecular weight of 327.42 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 99132352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).