N-[2-[benzyl(methyl)amino]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C21H25N3O2 — CID 3238648

IUPACN-[2-[benzyl(methyl)amino]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(CCNC(=O)c1cccc(N2CCCC2=O)c1)Cc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-23(16-17-7-3-2-4-8-17)14-12-22-21(26)18-9-5-10-19(15-18)24-13-6-11-20(24)25/h2-5,7-10,15H,6,11-14,16H2,1H3,(H,22,26)
InChIKeyWHNKYOXEKUIZLH-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.68
Rot. Bonds7

About N-[2-[benzyl(methyl)amino]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[2-[benzyl(methyl)amino]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 3238648) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID3238648
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[2-[benzyl(methyl)amino]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(CCNC(=O)c1cccc(N2CCCC2=O)c1)Cc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-23(16-17-7-3-2-4-8-17)14-12-22-21(26)18-9-5-10-19(15-18)24-13-6-11-20(24)25/h2-5,7-10,15H,6,11-14,16H2,1H3,(H,22,26)
InChIKeyWHNKYOXEKUIZLH-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 3238648) is N-[2-[benzyl(methyl)amino]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is CN(CCNC(=O)c1cccc(N2CCCC2=O)c1)Cc1ccccc1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is WHNKYOXEKUIZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-23(16-17-7-3-2-4-8-17)14-12-22-21(26)18-9-5-10-19(15-18)24-13-6-11-20(24)25/h2-5,7-10,15H,6,11-14,16H2,1H3,(H,22,26).
What are the key properties of N-[2-[benzyl(methyl)amino]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-[benzyl(methyl)amino]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 351.45 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 3238648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).