4-(4-ethylphenyl)-N-(2-hydroxy-1-phenylethyl)-4-oxobutanamide

C20H23NO3 — CID 110001369

IUPAC4-(4-ethylphenyl)-N-(2-hydroxy-1-phenylethyl)-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)NC(CO)c2ccccc2)cc1
InChIInChI=1S/C20H23NO3/c1-2-15-8-10-17(11-9-15)19(23)12-13-20(24)21-18(14-22)16-6-4-3-5-7-16/h3-11,18,22H,2,12-14H2,1H3,(H,21,24)
InChIKeyLNHQUTGAYHEMHG-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.06
Rot. Bonds8

About 4-(4-ethylphenyl)-N-(2-hydroxy-1-phenylethyl)-4-oxobutanamide

4-(4-ethylphenyl)-N-(2-hydroxy-1-phenylethyl)-4-oxobutanamide (PubChem CID 110001369) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-(2-hydroxy-1-phenylethyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-(2-hydroxy-1-phenylethyl)-4-oxobutanamide
PubChem CID110001369
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name4-(4-ethylphenyl)-N-(2-hydroxy-1-phenylethyl)-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)NC(CO)c2ccccc2)cc1
InChIInChI=1S/C20H23NO3/c1-2-15-8-10-17(11-9-15)19(23)12-13-20(24)21-18(14-22)16-6-4-3-5-7-16/h3-11,18,22H,2,12-14H2,1H3,(H,21,24)
InChIKeyLNHQUTGAYHEMHG-UHFFFAOYSA-N
XLogP3.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945042
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
4-(4-ethylphenyl)-4-oxo-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 51152072
4-(4-ethylphenyl)-N-(3-methylbutan-2-yl)-4-oxobutanamide
CID 78780258
4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
CID 79203204
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863809
N-ethyl-N'-[(1S)-2-hydroxy-1-phenylethyl]pentanediamide
CID 110002001
methyl (3R)-3-[[4-oxo-4-(4-phenylphenyl)butanoyl]amino]-3-phenylpropanoate
CID 9333199
N-(2-hydroxy-1-phenylethyl)-2-(4-methylphenyl)acetamide
CID 63184520
N-[(1R)-2-hydroxy-1-phenylethyl]-3-methylsulfonylpropanamide
CID 103946356
N-[(1R)-2-hydroxy-1-phenylethyl]-5-phenylpentanamide
CID 59924200
N-(2-hydroxy-1-phenylethyl)-4-(methylamino)butanamide
CID 63183611

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-(2-hydroxy-1-phenylethyl)-4-oxobutanamide?
The IUPAC name of 4-(4-ethylphenyl)-N-(2-hydroxy-1-phenylethyl)-4-oxobutanamide (CID 110001369) is 4-(4-ethylphenyl)-N-(2-hydroxy-1-phenylethyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethylphenyl)-N-(2-hydroxy-1-phenylethyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-ethylphenyl)-N-(2-hydroxy-1-phenylethyl)-4-oxobutanamide is CCc1ccc(C(=O)CCC(=O)NC(CO)c2ccccc2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-(2-hydroxy-1-phenylethyl)-4-oxobutanamide?
The InChIKey is LNHQUTGAYHEMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-2-15-8-10-17(11-9-15)19(23)12-13-20(24)21-18(14-22)16-6-4-3-5-7-16/h3-11,18,22H,2,12-14H2,1H3,(H,21,24).
What are the key properties of 4-(4-ethylphenyl)-N-(2-hydroxy-1-phenylethyl)-4-oxobutanamide?
4-(4-ethylphenyl)-N-(2-hydroxy-1-phenylethyl)-4-oxobutanamide has a molecular weight of 325.41 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-(2-hydroxy-1-phenylethyl)-4-oxobutanamide is sourced from PubChem (CID 110001369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).