N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide

C17H20N2O2 — CID 20895990

IUPACN-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCCC2c2ccco2)c1
InChIInChI=1S/C17H20N2O2/c1-12-7-8-13(2)14(11-12)18-17(20)19-9-3-5-15(19)16-6-4-10-21-16/h4,6-8,10-11,15H,3,5,9H2,1-2H3,(H,18,20)
InChIKeyUXDUEAOKQHQRGJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.27
Rot. Bonds2

About N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide

N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 20895990) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
PubChem CID20895990
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCCC2c2ccco2)c1
InChIInChI=1S/C17H20N2O2/c1-12-7-8-13(2)14(11-12)18-17(20)19-9-3-5-15(19)16-6-4-10-21-16/h4,6-8,10-11,15H,3,5,9H2,1-2H3,(H,18,20)
InChIKeyUXDUEAOKQHQRGJ-UHFFFAOYSA-N
XLogP4.27
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-2-yl)-N-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 74241509
(2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94138869
(2S)-N-(3-chloro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51550968
(2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51551012
N-(2,5-dimethylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001543
N-(4-bromo-3-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20896018
(2R)-N-(2-bromophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 92500060
(2R)-N-(2,5-dimethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079891
(2R)-N-(2,5-dimethylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855870
N-(2,5-dimethylphenyl)-2-(2-ethylpyrazol-3-yl)pyrrolidine-1-carboxamide
CID 20896043
N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20895993
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide (CID 20895990) is N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide is Cc1ccc(C)c(NC(=O)N2CCCC2c2ccco2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is UXDUEAOKQHQRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-7-8-13(2)14(11-12)18-17(20)19-9-3-5-15(19)16-6-4-10-21-16/h4,6-8,10-11,15H,3,5,9H2,1-2H3,(H,18,20).
What are the key properties of N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide?
N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 20895990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).