2-formyl-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide

C15H18N2O3 — CID 153346628

IUPAC2-formyl-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
SMILESCN(CCN1CCCC1=O)C(=O)c1ccccc1C=O
InChIInChI=1S/C15H18N2O3/c1-16(9-10-17-8-4-7-14(17)19)15(20)13-6-3-2-5-12(13)11-18/h2-3,5-6,11H,4,7-10H2,1H3
InChIKeyLESFRZAWMUECKX-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.19
Rot. Bonds5

About 2-formyl-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide

2-formyl-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide (PubChem CID 153346628) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-formyl-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-formyl-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
PubChem CID153346628
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-formyl-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
SMILESCN(CCN1CCCC1=O)C(=O)c1ccccc1C=O
InChIInChI=1S/C15H18N2O3/c1-16(9-10-17-8-4-7-14(17)19)15(20)13-6-3-2-5-12(13)11-18/h2-3,5-6,11H,4,7-10H2,1H3
InChIKeyLESFRZAWMUECKX-UHFFFAOYSA-N
XLogP1.19
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-formyl-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide?
The IUPAC name of 2-formyl-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide (CID 153346628) is 2-formyl-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-formyl-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-formyl-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide is CN(CCN1CCCC1=O)C(=O)c1ccccc1C=O.
What is the InChIKey of 2-formyl-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide?
The InChIKey is LESFRZAWMUECKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-16(9-10-17-8-4-7-14(17)19)15(20)13-6-3-2-5-12(13)11-18/h2-3,5-6,11H,4,7-10H2,1H3.
What are the key properties of 2-formyl-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide?
2-formyl-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide has a molecular weight of 274.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 153346628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).