N-[2-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide

C24H24N2O3 — CID 55550875

IUPACN-[2-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(C2CCCN2C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C24H24N2O3/c1-16-7-10-18(11-8-16)21-5-3-13-26(21)24(28)19-12-9-17(2)20(15-19)25-23(27)22-6-4-14-29-22/h4,6-12,14-15,21H,3,5,13H2,1-2H3,(H,25,27)
InChIKeyPZEZMCSULJOEPA-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.13
Rot. Bonds4

About N-[2-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide

N-[2-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide (PubChem CID 55550875) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[2-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide
PubChem CID55550875
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-[2-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(C2CCCN2C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C24H24N2O3/c1-16-7-10-18(11-8-16)21-5-3-13-26(21)24(28)19-12-9-17(2)20(15-19)25-23(27)22-6-4-14-29-22/h4,6-12,14-15,21H,3,5,13H2,1-2H3,(H,25,27)
InChIKeyPZEZMCSULJOEPA-UHFFFAOYSA-N
XLogP5.13
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 41138513
N-[4-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 55552482
N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657
N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide
CID 119469960
N-[4-(2-pyridin-4-ylpyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 24670276
N-[2-methyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 119394743
N-[5-[2-(4-bromophenyl)pyrrolidine-1-carbonyl]-2-methylphenyl]-2-fluorobenzamide
CID 55898012
N-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 119422876
N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 37019545
N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 9154613
N-[5-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41409796
N-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 120659344

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide (CID 55550875) is N-[2-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide is Cc1ccc(C2CCCN2C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1.
What is the InChIKey of N-[2-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide?
The InChIKey is PZEZMCSULJOEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-16-7-10-18(11-8-16)21-5-3-13-26(21)24(28)19-12-9-17(2)20(15-19)25-23(27)22-6-4-14-29-22/h4,6-12,14-15,21H,3,5,13H2,1-2H3,(H,25,27).
What are the key properties of N-[2-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide?
N-[2-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55550875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).