(2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide

C25H27NO2 — CID 7366385

IUPAC(2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)N[C@@H](c1ccccc1)c1cc(C)ccc1C
InChIInChI=1S/C25H27NO2/c1-4-23(28-21-13-9-6-10-14-21)25(27)26-24(20-11-7-5-8-12-20)22-17-18(2)15-16-19(22)3/h5-17,23-24H,4H2,1-3H3,(H,26,27)/t23-,24+/m1/s1
InChIKeyUKFYCVVFOGFBMP-RPWUZVMVSA-N
MW373.50 g/mol
LogP5.37
Rot. Bonds7

About (2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide

(2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide (PubChem CID 7366385) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide.

Molecular Properties

Compound Name(2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide
PubChem CID7366385
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name(2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide
SMILESCC[C@@H](Oc1ccccc1)C(=O)N[C@@H](c1ccccc1)c1cc(C)ccc1C
InChIInChI=1S/C25H27NO2/c1-4-23(28-21-13-9-6-10-14-21)25(27)26-24(20-11-7-5-8-12-20)22-17-18(2)15-16-19(22)3/h5-17,23-24H,4H2,1-3H3,(H,26,27)/t23-,24+/m1/s1
InChIKeyUKFYCVVFOGFBMP-RPWUZVMVSA-N
XLogP5.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.37
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)-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
2-(3-methylphenoxy)-N-[(4-methylphenyl)-phenylmethyl]butanamide
CID 43916230
(2S)-2-(3-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide
CID 92673239
(2R)-N-benzhydryl-2-(3,4-dimethylphenoxy)butanamide
CID 92677784
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 38016327
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide
CID 99132936
(2R)-N-(2,5-dimethylphenyl)-2-phenoxybutanamide
CID 871725
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 28631604
(2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 92677761
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243631

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide?
The IUPAC name of (2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide (CID 7366385) is (2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide.
What is the SMILES notation for (2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide?
The canonical SMILES for (2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide is CC[C@@H](Oc1ccccc1)C(=O)N[C@@H](c1ccccc1)c1cc(C)ccc1C.
What is the InChIKey of (2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide?
The InChIKey is UKFYCVVFOGFBMP-RPWUZVMVSA-N. The full InChI is InChI=1S/C25H27NO2/c1-4-23(28-21-13-9-6-10-14-21)25(27)26-24(20-11-7-5-8-12-20)22-17-18(2)15-16-19(22)3/h5-17,23-24H,4H2,1-3H3,(H,26,27)/t23-,24+/m1/s1.
What are the key properties of (2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide?
(2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide has a molecular weight of 373.50 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide is sourced from PubChem (CID 7366385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).