1-(furan-2-carbonyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide

C24H30N2O3 — CID 86878757

IUPAC1-(furan-2-carbonyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1C1(CNC(=O)C2CCCN2C(=O)c2ccco2)CCCCC1
InChIInChI=1S/C24H30N2O3/c1-18-9-3-4-10-19(18)24(13-5-2-6-14-24)17-25-22(27)20-11-7-15-26(20)23(28)21-12-8-16-29-21/h3-4,8-10,12,16,20H,2,5-7,11,13-15,17H2,1H3,(H,25,27)
InChIKeyGKLGPHBVXSBEFE-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.21
Rot. Bonds5

About 1-(furan-2-carbonyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide

1-(furan-2-carbonyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 86878757) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
PubChem CID86878757
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-(furan-2-carbonyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1C1(CNC(=O)C2CCCN2C(=O)c2ccco2)CCCCC1
InChIInChI=1S/C24H30N2O3/c1-18-9-3-4-10-19(18)24(13-5-2-6-14-24)17-25-22(27)20-11-7-15-26(20)23(28)21-12-8-16-29-21/h3-4,8-10,12,16,20H,2,5-7,11,13-15,17H2,1H3,(H,25,27)
InChIKeyGKLGPHBVXSBEFE-UHFFFAOYSA-N
XLogP4.21
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1-ethylcyclobutyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 97011673
(2R)-N-(2-benzamidoethyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 42879455
(2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 94816747
1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 51089877
(2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide
CID 32581229
1-(furan-2-carbonyl)-N-[[4-(3-methylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 86974225
(2R)-N-(3-acetamidophenyl)-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 51980891
benzyl 2-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]acetate
CID 60552080
N-[3-(benzenesulfonyl)propyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 166198860
1-(furan-2-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 75195661
(2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 32766924
N'-benzoyl-1-(furan-2-carbonyl)pyrrolidine-2-carbohydrazide
CID 24658797

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide (CID 86878757) is 1-(furan-2-carbonyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide is Cc1ccccc1C1(CNC(=O)C2CCCN2C(=O)c2ccco2)CCCCC1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is GKLGPHBVXSBEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-18-9-3-4-10-19(18)24(13-5-2-6-14-24)17-25-22(27)20-11-7-15-26(20)23(28)21-12-8-16-29-21/h3-4,8-10,12,16,20H,2,5-7,11,13-15,17H2,1H3,(H,25,27).
What are the key properties of 1-(furan-2-carbonyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide?
1-(furan-2-carbonyl)-N-[[1-(2-methylphenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.21, 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-[[1-(2-methylphenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 86878757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).