4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide

C17H19NO3 — CID 30797918

IUPAC4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H19NO3/c1-2-13-5-7-14(8-6-13)16(19)9-10-17(20)18-12-15-4-3-11-21-15/h3-8,11H,2,9-10,12H2,1H3,(H,18,20)
InChIKeyAUTNUVUJAUQGHM-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.12
Rot. Bonds7

About 4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide

4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide (PubChem CID 30797918) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
PubChem CID30797918
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H19NO3/c1-2-13-5-7-14(8-6-13)16(19)9-10-17(20)18-12-15-4-3-11-21-15/h3-8,11H,2,9-10,12H2,1H3,(H,18,20)
InChIKeyAUTNUVUJAUQGHM-UHFFFAOYSA-N
XLogP3.12
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-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-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 110297954
4-ethyl-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 17395333
4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-oxobutanamide
CID 110889375
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
2-(4-ethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 37465954
4-(4-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]-4-oxobutanamide
CID 111482755
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide
CID 110298073
4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-N-methyl-4-oxobutanamide
CID 112761055
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid
CID 82042115
N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 18108046

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide?
The IUPAC name of 4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide (CID 30797918) is 4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide is CCc1ccc(C(=O)CCC(=O)NCc2ccco2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide?
The InChIKey is AUTNUVUJAUQGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-13-5-7-14(8-6-13)16(19)9-10-17(20)18-12-15-4-3-11-21-15/h3-8,11H,2,9-10,12H2,1H3,(H,18,20).
What are the key properties of 4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide?
4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide has a molecular weight of 285.34 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide is sourced from PubChem (CID 30797918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).