N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxamide

C22H20N2O4 — CID 113190089

IUPACN-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccco1)C1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C22H20N2O4/c25-21-13-16(22(26)23-14-20-7-4-12-27-20)15-24(21)17-8-10-19(11-9-17)28-18-5-2-1-3-6-18/h1-12,16H,13-15H2,(H,23,26)
InChIKeyWPSILOKVASSGHX-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.74
Rot. Bonds6

About N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxamide

N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 113190089) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID113190089
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC NameN-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccco1)C1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C22H20N2O4/c25-21-13-16(22(26)23-14-20-7-4-12-27-20)15-24(21)17-8-10-19(11-9-17)28-18-5-2-1-3-6-18/h1-12,16H,13-15H2,(H,23,26)
InChIKeyWPSILOKVASSGHX-UHFFFAOYSA-N
XLogP3.74
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 765553
(3R)-1-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 40975808
(3S)-1-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 40975809
N-(2-methoxyethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 113190080
N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 110408803
(3R)-N-(furan-2-ylmethyl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 97465205
N-(furan-2-ylmethyl)-5-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188537
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
(3R)-N-(furan-2-ylmethyl)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056656
(3S)-1-(2,5-dichlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 9004622
1-(4-ethylphenyl)-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 134050585
(3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 124749019

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxamide (CID 113190089) is N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxamide is O=C(NCc1ccco1)C1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is WPSILOKVASSGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-21-13-16(22(26)23-14-20-7-4-12-27-20)15-24(21)17-8-10-19(11-9-17)28-18-5-2-1-3-6-18/h1-12,16H,13-15H2,(H,23,26).
What are the key properties of N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxamide?
N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113190089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).