1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide

C24H24N2O3 — CID 86974225

IUPAC1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(-c2ccc(CNC(=O)C3CCCN3C(=O)c3ccco3)cc2)c1
InChIInChI=1S/C24H24N2O3/c1-17-5-2-6-20(15-17)19-11-9-18(10-12-19)16-25-23(27)21-7-3-13-26(21)24(28)22-8-4-14-29-22/h2,4-6,8-12,14-15,21H,3,7,13,16H2,1H3,(H,25,27)
InChIKeyXWKFNKCMJJQFLJ-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.18
Rot. Bonds5

About 1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide

1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 86974225) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID86974225
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1cccc(-c2ccc(CNC(=O)C3CCCN3C(=O)c3ccco3)cc2)c1
InChIInChI=1S/C24H24N2O3/c1-17-5-2-6-20(15-17)19-11-9-18(10-12-19)16-25-23(27)21-7-3-13-26(21)24(28)22-8-4-14-29-22/h2,4-6,8-12,14-15,21H,3,7,13,16H2,1H3,(H,25,27)
InChIKeyXWKFNKCMJJQFLJ-UHFFFAOYSA-N
XLogP4.18
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 46537587
N-[[4-(ethylcarbamoyl)phenyl]methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 136578492
1-(furan-2-carbonyl)-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-2-carboxamide
CID 55974900
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
(2S)-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 146357876
(2S)-1-(2,4-dimethylbenzoyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95292121
1-(3-methylbutyl)-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-2-carboxamide
CID 173154633
1-(furan-2-carbonyl)-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 33280813
(2R)-N-(3-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51980891
1-(furan-2-carbonyl)-N-[4-(4-methylphenoxy)phenyl]pyrrolidine-2-carboxamide
CID 24658906
(2R)-N-[(1-ethylcyclobutyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 97011673
N-[(2,4-dichlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55973603

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide (CID 86974225) is 1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide is Cc1cccc(-c2ccc(CNC(=O)C3CCCN3C(=O)c3ccco3)cc2)c1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is XWKFNKCMJJQFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-17-5-2-6-20(15-17)19-11-9-18(10-12-19)16-25-23(27)21-7-3-13-26(21)24(28)22-8-4-14-29-22/h2,4-6,8-12,14-15,21H,3,7,13,16H2,1H3,(H,25,27).
What are the key properties of 1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide?
1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 86974225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).