(2S)-2-(2,3-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide

C26H29NO2 — CID 93488233

IUPAC(2S)-2-(2,3-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](c1ccccc1)c1ccccc1C
InChIInChI=1S/C26H29NO2/c1-5-23(29-24-17-11-13-18(2)20(24)4)26(28)27-25(21-14-7-6-8-15-21)22-16-10-9-12-19(22)3/h6-17,23,25H,5H2,1-4H3,(H,27,28)/t23-,25+/m0/s1
InChIKeyMRJPYQMEMQSWKL-UKILVPOCSA-N
MW387.52 g/mol
LogP5.68
Rot. Bonds7

About (2S)-2-(2,3-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide

(2S)-2-(2,3-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide (PubChem CID 93488233) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is (2S)-2-(2,3-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
PubChem CID93488233
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name(2S)-2-(2,3-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](c1ccccc1)c1ccccc1C
InChIInChI=1S/C26H29NO2/c1-5-23(29-24-17-11-13-18(2)20(24)4)26(28)27-25(21-14-7-6-8-15-21)22-16-10-9-12-19(22)3/h6-17,23,25H,5H2,1-4H3,(H,27,28)/t23-,25+/m0/s1
InChIKeyMRJPYQMEMQSWKL-UKILVPOCSA-N
XLogP5.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-methylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 92677761
(2S)-2-(2,5-dimethylphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide
CID 28574921
(2R)-2-(2,5-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 28574923
(2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]butanamide
CID 30383764
(2S)-2-(3-methoxyphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide
CID 92673239
2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 46763608
2-[[(2S)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 38007685
N-benzhydryl-2-naphthalen-1-yloxybutanamide
CID 46763227
2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide
CID 17328056
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
(2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide
CID 93488145
(2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 92679849

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide?
The IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide (CID 93488233) is (2S)-2-(2,3-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide.
What is the SMILES notation for (2S)-2-(2,3-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide?
The canonical SMILES for (2S)-2-(2,3-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide is CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@H](c1ccccc1)c1ccccc1C.
What is the InChIKey of (2S)-2-(2,3-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide?
The InChIKey is MRJPYQMEMQSWKL-UKILVPOCSA-N. The full InChI is InChI=1S/C26H29NO2/c1-5-23(29-24-17-11-13-18(2)20(24)4)26(28)27-25(21-14-7-6-8-15-21)22-16-10-9-12-19(22)3/h6-17,23,25H,5H2,1-4H3,(H,27,28)/t23-,25+/m0/s1.
What are the key properties of (2S)-2-(2,3-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide?
(2S)-2-(2,3-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide has a molecular weight of 387.52 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide is sourced from PubChem (CID 93488233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).