N-[2-(N-ethylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C21H25N3O2 — CID 3237254

IUPACN-[2-(N-ethylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCN(CCNC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-2-23(18-9-4-3-5-10-18)15-13-22-21(26)17-8-6-11-19(16-17)24-14-7-12-20(24)25/h3-6,8-11,16H,2,7,12-15H2,1H3,(H,22,26)
InChIKeyRFUGFXFFFXVAGE-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.07
Rot. Bonds7

About N-[2-(N-ethylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[2-(N-ethylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 3237254) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-(N-ethylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(N-ethylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID3237254
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[2-(N-ethylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCN(CCNC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-2-23(18-9-4-3-5-10-18)15-13-22-21(26)17-8-6-11-19(16-17)24-14-7-12-20(24)25/h3-6,8-11,16H,2,7,12-15H2,1H3,(H,22,26)
InChIKeyRFUGFXFFFXVAGE-UHFFFAOYSA-N
XLogP3.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-(N-ethylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 3237254) is N-[2-(N-ethylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(N-ethylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-(N-ethylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is CCN(CCNC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1.
What is the InChIKey of N-[2-(N-ethylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is RFUGFXFFFXVAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-2-23(18-9-4-3-5-10-18)15-13-22-21(26)17-8-6-11-19(16-17)24-14-7-12-20(24)25/h3-6,8-11,16H,2,7,12-15H2,1H3,(H,22,26).
What are the key properties of N-[2-(N-ethylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-(N-ethylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 3237254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).