3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide

C15H23NO2 — CID 103920079

IUPAC3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
SMILESCCc1ccc(CCC(=O)N[C@H](CC)CO)cc1
InChIInChI=1S/C15H23NO2/c1-3-12-5-7-13(8-6-12)9-10-15(18)16-14(4-2)11-17/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,16,18)/t14-/m1/s1
InChIKeyAGYDSUWPDSJAND-CQSZACIVSA-N
MW249.35 g/mol
LogP2.07
Rot. Bonds7

About 3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide

3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide (PubChem CID 103920079) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
PubChem CID103920079
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide
SMILESCCc1ccc(CCC(=O)N[C@H](CC)CO)cc1
InChIInChI=1S/C15H23NO2/c1-3-12-5-7-13(8-6-12)9-10-15(18)16-14(4-2)11-17/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,16,18)/t14-/m1/s1
InChIKeyAGYDSUWPDSJAND-CQSZACIVSA-N
XLogP2.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 93032401
3-(3,4-difluorophenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43427720
3-(4-chlorophenyl)-N-pentan-3-ylpropanamide
CID 94500233
(2S)-2-[3-(4-ethylphenyl)propanoylamino]-3-hydroxypropanoic acid
CID 61152444
3-(1,3-benzodioxol-5-yl)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417966
3-(3-amino-4-ethoxyphenyl)-N-(1-hydroxybutan-2-yl)propanamide
CID 82152685
N-[1-(4-ethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 127122521
N-(1-hydroxypentan-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 109479313
(2S)-2-[3-(4-ethylphenyl)propanoylamino]-3,3-dimethylbutanoic acid
CID 61144373
3-(4-chlorophenyl)-N-heptan-3-ylpropanamide;ethane
CID 143571262
methyl 3-[3-(4-methylphenyl)propanoylamino]pentanoate
CID 110476824
3-(4-fluorophenyl)-N-(1-hydroxypropan-2-yl)propanamide
CID 43418758

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide?
The IUPAC name of 3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide (CID 103920079) is 3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide is CCc1ccc(CCC(=O)N[C@H](CC)CO)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide?
The InChIKey is AGYDSUWPDSJAND-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-12-5-7-13(8-6-12)9-10-15(18)16-14(4-2)11-17/h5-8,14,17H,3-4,9-11H2,1-2H3,(H,16,18)/t14-/m1/s1.
What are the key properties of 3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide?
3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide has a molecular weight of 249.35 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]propanamide is sourced from PubChem (CID 103920079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).