(2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-ethylphenoxy)propanamide

C23H31NO2 — CID 30397880

IUPAC(2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H31NO2/c1-7-18-10-8-9-11-21(18)26-17(3)22(25)24-16(2)19-12-14-20(15-13-19)23(4,5)6/h8-17H,7H2,1-6H3,(H,24,25)/t16-,17-/m0/s1
InChIKeyYBOBKBUJHRJEOK-IRXDYDNUSA-N
MW353.51 g/mol
LogP5.19
Rot. Bonds6

About (2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-ethylphenoxy)propanamide

(2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-ethylphenoxy)propanamide (PubChem CID 30397880) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-ethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-ethylphenoxy)propanamide
PubChem CID30397880
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name(2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H31NO2/c1-7-18-10-8-9-11-21(18)26-17(3)22(25)24-16(2)19-12-14-20(15-13-19)23(4,5)6/h8-17H,7H2,1-6H3,(H,24,25)/t16-,17-/m0/s1
InChIKeyYBOBKBUJHRJEOK-IRXDYDNUSA-N
XLogP5.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 92682028
N-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide
CID 132651097
(2S)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]propanamide
CID 38001892
(2R)-2-(2-ethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100568779
N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide
CID 53285104
(2S)-N-(2,4-dimethylpentan-3-yl)-2-(2-ethylphenoxy)propanamide
CID 99131605
(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
CID 92676181
2-(2-cyanophenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 46525689
(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 92684665
(2S)-2-(2-ethylphenoxy)-N-[(2R)-pentan-2-yl]propanamide
CID 92684666
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058
(2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 28632091

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-ethylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-ethylphenoxy)propanamide (CID 30397880) is (2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-ethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-ethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-ethylphenoxy)propanamide is CCc1ccccc1O[C@@H](C)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-ethylphenoxy)propanamide?
The InChIKey is YBOBKBUJHRJEOK-IRXDYDNUSA-N. The full InChI is InChI=1S/C23H31NO2/c1-7-18-10-8-9-11-21(18)26-17(3)22(25)24-16(2)19-12-14-20(15-13-19)23(4,5)6/h8-17H,7H2,1-6H3,(H,24,25)/t16-,17-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-ethylphenoxy)propanamide?
(2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-ethylphenoxy)propanamide has a molecular weight of 353.51 g/mol, XLogP of 5.19, 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-ethylphenoxy)propanamide is sourced from PubChem (CID 30397880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).