N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide

C21H20N2O4 — CID 71936343

IUPACN-(1-benzyl-2-oxopyrrolidin-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESO=C1OC(C(=O)NC2CCN(Cc3ccccc3)C2=O)Cc2ccccc21
InChIInChI=1S/C21H20N2O4/c24-19(18-12-15-8-4-5-9-16(15)21(26)27-18)22-17-10-11-23(20(17)25)13-14-6-2-1-3-7-14/h1-9,17-18H,10-13H2,(H,22,24)
InChIKeyRJVBGELSFKLPQR-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.69
Rot. Bonds4

About N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide

N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide (PubChem CID 71936343) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-2-oxopyrrolidin-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
PubChem CID71936343
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-(1-benzyl-2-oxopyrrolidin-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESO=C1OC(C(=O)NC2CCN(Cc3ccccc3)C2=O)Cc2ccccc21
InChIInChI=1S/C21H20N2O4/c24-19(18-12-15-8-4-5-9-16(15)21(26)27-18)22-17-10-11-23(20(17)25)13-14-6-2-1-3-7-14/h1-9,17-18H,10-13H2,(H,22,24)
InChIKeyRJVBGELSFKLPQR-UHFFFAOYSA-N
XLogP1.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674455
2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977235
(3S)-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 97315046
(3S)-N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 97315048
(2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide
CID 119308609
(3R)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 9117579
(3S)-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 9117580
(3R)-1-oxo-N-phenyl-3,4-dihydroisochromene-3-carboxamide
CID 2146542
2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride
CID 119757803
N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 95589689
(3S)-1-acetyl-N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]piperidine-3-carboxamide
CID 97315039
N-(1-benzyl-2-oxopyrrolidin-3-yl)quinoline-2-carboxamide
CID 51127250

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide (CID 71936343) is N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide is O=C1OC(C(=O)NC2CCN(Cc3ccccc3)C2=O)Cc2ccccc21.
What is the InChIKey of N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is RJVBGELSFKLPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-19(18-12-15-8-4-5-9-16(15)21(26)27-18)22-17-10-11-23(20(17)25)13-14-6-2-1-3-7-14/h1-9,17-18H,10-13H2,(H,22,24).
What are the key properties of N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 71936343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).