N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide

C17H20N2O4 — CID 20895993

IUPACN-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC2c2ccco2)cc1OC
InChIInChI=1S/C17H20N2O4/c1-21-15-8-7-12(11-16(15)22-2)18-17(20)19-9-3-5-13(19)14-6-4-10-23-14/h4,6-8,10-11,13H,3,5,9H2,1-2H3,(H,18,20)
InChIKeyDYQCMPXDHITNFB-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.67
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide

N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 20895993) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
PubChem CID20895993
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC2c2ccco2)cc1OC
InChIInChI=1S/C17H20N2O4/c1-21-15-8-7-12(11-16(15)22-2)18-17(20)19-9-3-5-13(19)14-6-4-10-23-14/h4,6-8,10-11,13H,3,5,9H2,1-2H3,(H,18,20)
InChIKeyDYQCMPXDHITNFB-UHFFFAOYSA-N
XLogP3.67
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(3-chloro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51550968
N-(4-bromo-3-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20896018
(2R)-N-(3-fluoro-4-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51551012
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856038
(2R)-N-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 51856174
(2S)-N-(3-chloro-4-fluorophenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 51550987
2-(3,4-dimethoxyphenyl)-1-[2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 20895626
(2R)-N-(1,3-benzothiazol-6-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 99354971
(2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide
CID 1474768
(2S)-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 99564424
(2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide
CID 93076688
N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20895990

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide (CID 20895993) is N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide is COc1ccc(NC(=O)N2CCCC2c2ccco2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is DYQCMPXDHITNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-21-15-8-7-12(11-16(15)22-2)18-17(20)19-9-3-5-13(19)14-6-4-10-23-14/h4,6-8,10-11,13H,3,5,9H2,1-2H3,(H,18,20).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide?
N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 20895993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).