4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide

C17H19NO4 — CID 110389850

IUPAC4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide
SMILESCOc1cccc(CCNC(=O)CCC(=O)c2ccco2)c1
InChIInChI=1S/C17H19NO4/c1-21-14-5-2-4-13(12-14)9-10-18-17(20)8-7-15(19)16-6-3-11-22-16/h2-6,11-12H,7-10H2,1H3,(H,18,20)
InChIKeyAEVKDAOBPIWAKE-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.61
Rot. Bonds8

About 4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide

4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide (PubChem CID 110389850) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide
PubChem CID110389850
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide
SMILESCOc1cccc(CCNC(=O)CCC(=O)c2ccco2)c1
InChIInChI=1S/C17H19NO4/c1-21-14-5-2-4-13(12-14)9-10-18-17(20)8-7-15(19)16-6-3-11-22-16/h2-6,11-12H,7-10H2,1H3,(H,18,20)
InChIKeyAEVKDAOBPIWAKE-UHFFFAOYSA-N
XLogP2.61
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
4-(2,2-dimethylhydrazinyl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide
CID 166390750
N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110295233
N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 119549328
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
4-[2-[3-[2-(3-methoxyphenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22685572
N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)-4-oxobutanamide
CID 110389848
N-[4-[[3-(3-methoxyphenyl)propanoylamino]methyl]phenyl]furan-2-carboxamide
CID 24618608
N-[2-(1,3-benzoxazol-5-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110707393
N-[2-(3-methoxyphenyl)ethyl]-3-(1-methylpyrrol-2-yl)propanamide
CID 110700679

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide?
The IUPAC name of 4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide (CID 110389850) is 4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide?
The canonical SMILES for 4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide is COc1cccc(CCNC(=O)CCC(=O)c2ccco2)c1.
What is the InChIKey of 4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide?
The InChIKey is AEVKDAOBPIWAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-21-14-5-2-4-13(12-14)9-10-18-17(20)8-7-15(19)16-6-3-11-22-16/h2-6,11-12H,7-10H2,1H3,(H,18,20).
What are the key properties of 4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide?
4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide has a molecular weight of 301.34 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide is sourced from PubChem (CID 110389850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).