N-[3-(cyclopropylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C20H21N3O4 — CID 51241967

IUPACN-[3-(cyclopropylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)c1cccc(NC(=O)C2CC(=O)N(Cc3ccco3)C2)c1
InChIInChI=1S/C20H21N3O4/c24-18-10-14(11-23(18)12-17-5-2-8-27-17)20(26)22-16-4-1-3-13(9-16)19(25)21-15-6-7-15/h1-5,8-9,14-15H,6-7,10-12H2,(H,21,25)(H,22,26)
InChIKeyZDHOEEPWELGSKW-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.16
Rot. Bonds6

About N-[3-(cyclopropylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

N-[3-(cyclopropylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 51241967) has the molecular formula C20H21N3O4 and a molecular weight of 367.40 g/mol. Its IUPAC name is N-[3-(cyclopropylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID51241967
Molecular FormulaC20H21N3O4
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC NameN-[3-(cyclopropylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CC1)c1cccc(NC(=O)C2CC(=O)N(Cc3ccco3)C2)c1
InChIInChI=1S/C20H21N3O4/c24-18-10-14(11-23(18)12-17-5-2-8-27-17)20(26)22-16-4-1-3-13(9-16)19(25)21-15-6-7-15/h1-5,8-9,14-15H,6-7,10-12H2,(H,21,25)(H,22,26)
InChIKeyZDHOEEPWELGSKW-UHFFFAOYSA-N
XLogP2.16
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 18077896
N-(3-acetamidophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51149894
N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 17390517
N-cyclopentyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47100703
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55341921
(3S)-N-[3-(cyclopropylmethoxymethyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 95090657
(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39314628
1-(furan-2-ylmethyl)-5-oxo-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide
CID 49360567
(3R)-N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 6931900
(3S)-N-(4-bromo-3-methylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 9095963
N-(2,6-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 113183148

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(cyclopropylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 51241967) is N-[3-(cyclopropylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(cyclopropylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is O=C(NC1CC1)c1cccc(NC(=O)C2CC(=O)N(Cc3ccco3)C2)c1.
What is the InChIKey of N-[3-(cyclopropylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZDHOEEPWELGSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-18-10-14(11-23(18)12-17-5-2-8-27-17)20(26)22-16-4-1-3-13(9-16)19(25)21-15-6-7-15/h1-5,8-9,14-15H,6-7,10-12H2,(H,21,25)(H,22,26).
What are the key properties of N-[3-(cyclopropylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
N-[3-(cyclopropylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51241967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).