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

C20H23N3O2 — CID 94476724

IUPACN-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(CCNC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-22(17-8-3-2-4-9-17)14-12-21-20(25)16-7-5-10-18(15-16)23-13-6-11-19(23)24/h2-5,7-10,15H,6,11-14H2,1H3,(H,21,25)
InChIKeyWKWYEVSFMPPOBR-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.68
Rot. Bonds6

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

N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 94476724) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID94476724
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(CCNC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-22(17-8-3-2-4-9-17)14-12-21-20(25)16-7-5-10-18(15-16)23-13-6-11-19(23)24/h2-5,7-10,15H,6,11-14H2,1H3,(H,21,25)
InChIKeyWKWYEVSFMPPOBR-UHFFFAOYSA-N
XLogP2.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174646
N-[3-(2-fluoro-N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55908681
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119496776
N-(2-methyl-2-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46414391
3-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide
CID 3561777
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 34956402
3-(2-oxopyrrolidin-1-yl)-N-[2-(phenylsulfamoyl)ethyl]benzamide
CID 110615723
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55705699
N-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 119548405
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 94476724) is N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is CN(CCNC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1.
What is the InChIKey of N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is WKWYEVSFMPPOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-22(17-8-3-2-4-9-17)14-12-21-20(25)16-7-5-10-18(15-16)23-13-6-11-19(23)24/h2-5,7-10,15H,6,11-14H2,1H3,(H,21,25).
What are the key properties of N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 337.42 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 94476724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).