N-[2-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide

C15H19N3O3 — CID 110746088

IUPACN-[2-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide
SMILESCN1CC(CNC(=O)CNC(=O)c2ccccc2)CC1=O
InChIInChI=1S/C15H19N3O3/c1-18-10-11(7-14(18)20)8-16-13(19)9-17-15(21)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,19)(H,17,21)
InChIKeyJCCDTQRTOAXOKX-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.01
Rot. Bonds5

About N-[2-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide

N-[2-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide (PubChem CID 110746088) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[2-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide
PubChem CID110746088
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-[2-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide
SMILESCN1CC(CNC(=O)CNC(=O)c2ccccc2)CC1=O
InChIInChI=1S/C15H19N3O3/c1-18-10-11(7-14(18)20)8-16-13(19)9-17-15(21)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,19)(H,17,21)
InChIKeyJCCDTQRTOAXOKX-UHFFFAOYSA-N
XLogP0.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide (CID 110746088) is N-[2-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide is CN1CC(CNC(=O)CNC(=O)c2ccccc2)CC1=O.
What is the InChIKey of N-[2-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is JCCDTQRTOAXOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-18-10-11(7-14(18)20)8-16-13(19)9-17-15(21)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,16,19)(H,17,21).
What are the key properties of N-[2-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide?
N-[2-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 289.33 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-methyl-5-oxopyrrolidin-3-yl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 110746088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).