(2S)-N,N-diethyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide

C14H20N2O3 — CID 95738945

IUPAC(2S)-N,N-diethyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCC(=O)N1Cc1ccco1
InChIInChI=1S/C14H20N2O3/c1-3-15(4-2)14(18)12-7-8-13(17)16(12)10-11-6-5-9-19-11/h5-6,9,12H,3-4,7-8,10H2,1-2H3/t12-/m0/s1
InChIKeyUUCGDMQHSKOEHT-LBPRGKRZSA-N
MW264.32 g/mol
LogP1.64
Rot. Bonds5

About (2S)-N,N-diethyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide

(2S)-N,N-diethyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 95738945) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2S)-N,N-diethyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-diethyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID95738945
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2S)-N,N-diethyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1CCC(=O)N1Cc1ccco1
InChIInChI=1S/C14H20N2O3/c1-3-15(4-2)14(18)12-7-8-13(17)16(12)10-11-6-5-9-19-11/h5-6,9,12H,3-4,7-8,10H2,1-2H3/t12-/m0/s1
InChIKeyUUCGDMQHSKOEHT-LBPRGKRZSA-N
XLogP1.64
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-benzyl-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 7101881
(2R)-1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95738926
N-[2-(dimethylamino)-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 71688511
(5R)-5-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 124853639
(5R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 100802705
1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
CID 21364431
1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid
CID 117003684
(2R)-N-(cyclopentylmethyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 95738938
(2S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739036
(2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 7101882
(2S)-1-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-2-carboxamide
CID 95738994
(2S)-1-(furan-2-ylmethyl)-5-oxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 95738978

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-diethyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N,N-diethyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide (CID 95738945) is (2S)-N,N-diethyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N,N-diethyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N,N-diethyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1CCC(=O)N1Cc1ccco1.
What is the InChIKey of (2S)-N,N-diethyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is UUCGDMQHSKOEHT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-15(4-2)14(18)12-7-8-13(17)16(12)10-11-6-5-9-19-11/h5-6,9,12H,3-4,7-8,10H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-N,N-diethyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide?
(2S)-N,N-diethyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-diethyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95738945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).