(2R)-2-(furan-2-yl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide

C13H20N2O3 — CID 51551008

IUPAC(2R)-2-(furan-2-yl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
SMILESCOCCCNC(=O)N1CCC[C@@H]1c1ccco1
InChIInChI=1S/C13H20N2O3/c1-17-9-4-7-14-13(16)15-8-2-5-11(15)12-6-3-10-18-12/h3,6,10-11H,2,4-5,7-9H2,1H3,(H,14,16)/t11-/m1/s1
InChIKeyNZQSWCADKNZYHT-LLVKDONJSA-N
MW252.31 g/mol
LogP2.16
Rot. Bonds5

About (2R)-2-(furan-2-yl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide

(2R)-2-(furan-2-yl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide (PubChem CID 51551008) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is (2R)-2-(furan-2-yl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(furan-2-yl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
PubChem CID51551008
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name(2R)-2-(furan-2-yl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide
SMILESCOCCCNC(=O)N1CCC[C@@H]1c1ccco1
InChIInChI=1S/C13H20N2O3/c1-17-9-4-7-14-13(16)15-8-2-5-11(15)12-6-3-10-18-12/h3,6,10-11H,2,4-5,7-9H2,1H3,(H,14,16)/t11-/m1/s1
InChIKeyNZQSWCADKNZYHT-LLVKDONJSA-N
XLogP2.16
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)azepane-1-carboxamide
CID 126445655
(2R)-N-(3-methoxypropyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503190
(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94041255
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
N-(3,4-dimethoxyphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20895993
(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94030226
N-(2,5-dimethylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20895990
(2R)-N-(3-methoxypropyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95116692
N-(3-methoxypropyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53206212
(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
(2S)-2-(1,3-benzothiazol-2-yl)-N-(4-methoxybutyl)piperidine-1-carboxamide
CID 94172156

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(furan-2-yl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(furan-2-yl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide (CID 51551008) is (2R)-2-(furan-2-yl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(furan-2-yl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(furan-2-yl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide is COCCCNC(=O)N1CCC[C@@H]1c1ccco1.
What is the InChIKey of (2R)-2-(furan-2-yl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide?
The InChIKey is NZQSWCADKNZYHT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-17-9-4-7-14-13(16)15-8-2-5-11(15)12-6-3-10-18-12/h3,6,10-11H,2,4-5,7-9H2,1H3,(H,14,16)/t11-/m1/s1.
What are the key properties of (2R)-2-(furan-2-yl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide?
(2R)-2-(furan-2-yl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide has a molecular weight of 252.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(furan-2-yl)-N-(3-methoxypropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 51551008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).