(2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide

C24H33NO2 — CID 93488145

IUPAC(2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H33NO2/c1-8-21(27-22-11-9-10-16(2)17(22)3)23(26)25-18(4)19-12-14-20(15-13-19)24(5,6)7/h9-15,18,21H,8H2,1-7H3,(H,25,26)/t18-,21-/m0/s1
InChIKeyFKENDZCWPDTSKT-RXVVDRJESA-N
MW367.53 g/mol
LogP5.64
Rot. Bonds6

About (2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide

(2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide (PubChem CID 93488145) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide
PubChem CID93488145
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name(2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H33NO2/c1-8-21(27-22-11-9-10-16(2)17(22)3)23(26)25-18(4)19-12-14-20(15-13-19)24(5,6)7/h9-15,18,21H,8H2,1-7H3,(H,25,26)/t18-,21-/m0/s1
InChIKeyFKENDZCWPDTSKT-RXVVDRJESA-N
XLogP5.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 92679849
(2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]butanamide
CID 30383764
2-[[(2S)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 38007685
(2S)-2-(2,3-dimethylphenoxy)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 93488233
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
(2S)-2-(2-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132352
(2R)-2-(2,3-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide
CID 28958403
(2R)-2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132269
(2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 28984413
(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99133147
(2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-ethylphenoxy)propanamide
CID 30397880
(2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 99955131

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide?
The IUPAC name of (2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide (CID 93488145) is (2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide is CC[C@H](Oc1cccc(C)c1C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide?
The InChIKey is FKENDZCWPDTSKT-RXVVDRJESA-N. The full InChI is InChI=1S/C24H33NO2/c1-8-21(27-22-11-9-10-16(2)17(22)3)23(26)25-18(4)19-12-14-20(15-13-19)24(5,6)7/h9-15,18,21H,8H2,1-7H3,(H,25,26)/t18-,21-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide?
(2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide has a molecular weight of 367.53 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2,3-dimethylphenoxy)butanamide is sourced from PubChem (CID 93488145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).