1-(4-butoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C20H24N2O4 — CID 2921642

IUPAC1-(4-butoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCOc1ccc(N2CC(C(=O)NCc3ccco3)CC2=O)cc1
InChIInChI=1S/C20H24N2O4/c1-2-3-10-25-17-8-6-16(7-9-17)22-14-15(12-19(22)23)20(24)21-13-18-5-4-11-26-18/h4-9,11,15H,2-3,10,12-14H2,1H3,(H,21,24)
InChIKeyYQIGWYWYZGSCHU-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.13
Rot. Bonds8

About 1-(4-butoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

1-(4-butoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2921642) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2921642
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name1-(4-butoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCOc1ccc(N2CC(C(=O)NCc3ccco3)CC2=O)cc1
InChIInChI=1S/C20H24N2O4/c1-2-3-10-25-17-8-6-16(7-9-17)22-14-15(12-19(22)23)20(24)21-13-18-5-4-11-26-18/h4-9,11,15H,2-3,10,12-14H2,1H3,(H,21,24)
InChIKeyYQIGWYWYZGSCHU-UHFFFAOYSA-N
XLogP3.13
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4'-Methoxy-2-furanilide
CID 303388
8-(furan-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72376215
1-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 2955360
N-(2-furylmethyl)-1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 2981070
1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 54679770
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-N'-(4-methoxyphenyl)oxamide
CID 3127685
N-(3-Amino-phenyl)-N'-furan-2-ylmethyl-succinamide
CID 859436
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
CID 2461510
N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]furan-2-carboxamide
CID 2526259
1-(furan-2-ylmethyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2815709
N-(4-fluorophenyl)-1-(2-furylmethyl)-5-oxo-3-pyrrolidinecarboxamide
CID 2815710
N-{2-[(4-ethoxyphenyl)amino]-2-oxoethyl}furan-2-carboxamide
CID 2982164

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-butoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 2921642) is 1-(4-butoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-butoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-butoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is CCCCOc1ccc(N2CC(C(=O)NCc3ccco3)CC2=O)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YQIGWYWYZGSCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-2-3-10-25-17-8-6-16(7-9-17)22-14-15(12-19(22)23)20(24)21-13-18-5-4-11-26-18/h4-9,11,15H,2-3,10,12-14H2,1H3,(H,21,24).
What are the key properties of 1-(4-butoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-butoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2921642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).