(2R)-N-benzyl-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-2-carboxamide

C18H20N2O3 — CID 7101881

IUPAC(2R)-N-benzyl-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@H]1CCC(=O)N1Cc1ccco1
InChIInChI=1S/C18H20N2O3/c1-19(12-14-6-3-2-4-7-14)18(22)16-9-10-17(21)20(16)13-15-8-5-11-23-15/h2-8,11,16H,9-10,12-13H2,1H3/t16-/m1/s1
InChIKeyYOCOLOZTFYCQJN-MRXNPFEDSA-N
MW312.37 g/mol
LogP2.43
Rot. Bonds5

About (2R)-N-benzyl-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-2-carboxamide

(2R)-N-benzyl-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 7101881) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2R)-N-benzyl-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-benzyl-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID7101881
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(2R)-N-benzyl-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@H]1CCC(=O)N1Cc1ccco1
InChIInChI=1S/C18H20N2O3/c1-19(12-14-6-3-2-4-7-14)18(22)16-9-10-17(21)20(16)13-15-8-5-11-23-15/h2-8,11,16H,9-10,12-13H2,1H3/t16-/m1/s1
InChIKeyYOCOLOZTFYCQJN-MRXNPFEDSA-N
XLogP2.43
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(furan-2-ylmethyl)-N-methyl-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95738926
(2S)-N,N-diethyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 95738945
(2S)-N-(furan-2-ylmethyl)-N-methyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739036
N-[2-(dimethylamino)-2-oxoethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 71688511
1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid
CID 117003684
(5R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 100802705
(5R)-5-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 124853639
(2S)-1-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 7101882
1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
CID 21364431
(2R,3R)-N-benzyl-1-ethyl-N-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 110086806
(2R)-N-(cyclopentylmethyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 95738938
2-benzyl-N-(furan-2-ylmethyl)-N-methyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 53147717

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-benzyl-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-2-carboxamide (CID 7101881) is (2R)-N-benzyl-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-benzyl-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-benzyl-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-2-carboxamide is CN(Cc1ccccc1)C(=O)[C@H]1CCC(=O)N1Cc1ccco1.
What is the InChIKey of (2R)-N-benzyl-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is YOCOLOZTFYCQJN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-19(12-14-6-3-2-4-7-14)18(22)16-9-10-17(21)20(16)13-15-8-5-11-23-15/h2-8,11,16H,9-10,12-13H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-N-benzyl-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-2-carboxamide?
(2R)-N-benzyl-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 7101881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).