4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide

C19H23NO4 — CID 111482755

IUPAC4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)NCC(C)(O)c2ccco2)cc1
InChIInChI=1S/C19H23NO4/c1-3-14-6-8-15(9-7-14)16(21)10-11-18(22)20-13-19(2,23)17-5-4-12-24-17/h4-9,12,23H,3,10-11,13H2,1-2H3,(H,20,22)
InChIKeyLXMLNXXJBIXEOW-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.83
Rot. Bonds8

About 4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide

4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide (PubChem CID 111482755) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide
PubChem CID111482755
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)NCC(C)(O)c2ccco2)cc1
InChIInChI=1S/C19H23NO4/c1-3-14-6-8-15(9-7-14)16(21)10-11-18(22)20-13-19(2,23)17-5-4-12-24-17/h4-9,12,23H,3,10-11,13H2,1-2H3,(H,20,22)
InChIKeyLXMLNXXJBIXEOW-UHFFFAOYSA-N
XLogP2.83
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 30797918
3-(furan-2-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
CID 111481891
4-(2,5-dimethylthiophen-3-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide
CID 111482727
2-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 71782547
4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-oxobutanamide
CID 110889375
N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(4-methylsulfonylphenyl)propanamide
CID 100701375
4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide
CID 109379769
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-[4-(2-methylpropyl)phenyl]acetamide
CID 111481934
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-phenylmethoxypropanamide
CID 111482708
4-[[ethyl(propan-2-yl)amino]methyl]-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482555
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide?
The IUPAC name of 4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide (CID 111482755) is 4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide is CCc1ccc(C(=O)CCC(=O)NCC(C)(O)c2ccco2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide?
The InChIKey is LXMLNXXJBIXEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-3-14-6-8-15(9-7-14)16(21)10-11-18(22)20-13-19(2,23)17-5-4-12-24-17/h4-9,12,23H,3,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of 4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide?
4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide has a molecular weight of 329.40 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide is sourced from PubChem (CID 111482755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).