N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C20H21N3O4 — CID 51189228

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)C3CC(=O)N(Cc4ccco4)C3)ccc21
InChIInChI=1S/C20H21N3O4/c1-13(24)23-7-6-14-9-16(4-5-18(14)23)21-20(26)15-10-19(25)22(11-15)12-17-3-2-8-27-17/h2-5,8-9,15H,6-7,10-12H2,1H3,(H,21,26)
InChIKeyBNVSJBNTTGPMTA-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.18
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 51189228) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID51189228
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)N1CCc2cc(NC(=O)C3CC(=O)N(Cc4ccco4)C3)ccc21
InChIInChI=1S/C20H21N3O4/c1-13(24)23-7-6-14-9-16(4-5-18(14)23)21-20(26)15-10-19(25)22(11-15)12-17-3-2-8-27-17/h2-5,8-9,15H,6-7,10-12H2,1H3,(H,21,26)
InChIKeyBNVSJBNTTGPMTA-UHFFFAOYSA-N
XLogP2.18
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51149894
N-(3-acetylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 18077896
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
(3S)-N-(4-bromo-3-methylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 9095963
(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39314628
(3R)-N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 6931900
N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55341921
1-(furan-2-ylmethyl)-5-oxo-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide
CID 49360567
N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 17390517
(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 35753646
(3R)-N-[4-(acetylsulfamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 39313837
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 51189228) is N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)N1CCc2cc(NC(=O)C3CC(=O)N(Cc4ccco4)C3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BNVSJBNTTGPMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-13(24)23-7-6-14-9-16(4-5-18(14)23)21-20(26)15-10-19(25)22(11-15)12-17-3-2-8-27-17/h2-5,8-9,15H,6-7,10-12H2,1H3,(H,21,26).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51189228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).