(2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide

C25H27NO2 — CID 92677761

IUPAC(2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
SMILESCC[C@H](Oc1ccccc1C)C(=O)N[C@H](c1ccccc1)c1ccccc1C
InChIInChI=1S/C25H27NO2/c1-4-22(28-23-17-11-9-13-19(23)3)25(27)26-24(20-14-6-5-7-15-20)21-16-10-8-12-18(21)2/h5-17,22,24H,4H2,1-3H3,(H,26,27)/t22-,24+/m0/s1
InChIKeyTWZRDBXIBBARNY-LADGPHEKSA-N
MW373.50 g/mol
LogP5.37
Rot. Bonds7

About (2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide

(2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide (PubChem CID 92677761) has the molecular formula C25H27NO2 and a molecular weight of 373.50 g/mol. Its IUPAC name is (2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
PubChem CID92677761
Molecular FormulaC25H27NO2
Molecular Weight373.50 g/mol
Exact Mass373.20
IUPAC Name(2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
SMILESCC[C@H](Oc1ccccc1C)C(=O)N[C@H](c1ccccc1)c1ccccc1C
InChIInChI=1S/C25H27NO2/c1-4-22(28-23-17-11-9-13-19(23)3)25(27)26-24(20-14-6-5-7-15-20)21-16-10-8-12-18(21)2/h5-17,22,24H,4H2,1-3H3,(H,26,27)/t22-,24+/m0/s1
InChIKeyTWZRDBXIBBARNY-LADGPHEKSA-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

(2S)-2-(2,3-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 93488233
(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-(3-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide
CID 92673239
2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide
CID 17328056
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2-methylphenoxy)butanamide
CID 110001590
N'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide
CID 4932039
(2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide
CID 28572865
N-[1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
CID 17327347
(2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 7366385
N-benzhydryl-2-naphthalen-1-yloxybutanamide
CID 46763227
2-methyl-N-[(S)-(2-methylphenyl)-phenylmethyl]propanamide
CID 100583680

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide?
The IUPAC name of (2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide (CID 92677761) is (2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide.
What is the SMILES notation for (2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide?
The canonical SMILES for (2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide is CC[C@H](Oc1ccccc1C)C(=O)N[C@H](c1ccccc1)c1ccccc1C.
What is the InChIKey of (2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide?
The InChIKey is TWZRDBXIBBARNY-LADGPHEKSA-N. The full InChI is InChI=1S/C25H27NO2/c1-4-22(28-23-17-11-9-13-19(23)3)25(27)26-24(20-14-6-5-7-15-20)21-16-10-8-12-18(21)2/h5-17,22,24H,4H2,1-3H3,(H,26,27)/t22-,24+/m0/s1.
What are the key properties of (2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide?
(2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide 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 (2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide is sourced from PubChem (CID 92677761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).