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

C21H25N3O2 — CID 3237233

IUPACN-[3-(N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(CCCNC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-23(18-9-3-2-4-10-18)14-7-13-22-21(26)17-8-5-11-19(16-17)24-15-6-12-20(24)25/h2-5,8-11,16H,6-7,12-15H2,1H3,(H,22,26)
InChIKeyCSELBYMWOOOFFX-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.07
Rot. Bonds7

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

N-[3-(N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 3237233) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[3-(N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID3237233
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[3-(N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCN(CCCNC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-23(18-9-3-2-4-10-18)14-7-13-22-21(26)17-8-5-11-19(16-17)24-15-6-12-20(24)25/h2-5,8-11,16H,6-7,12-15H2,1H3,(H,22,26)
InChIKeyCSELBYMWOOOFFX-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[3-(N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 3237233) is N-[3-(N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[3-(N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[3-(N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide is CN(CCCNC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1.
What is the InChIKey of N-[3-(N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is CSELBYMWOOOFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-23(18-9-3-2-4-10-18)14-7-13-22-21(26)17-8-5-11-19(16-17)24-15-6-12-20(24)25/h2-5,8-11,16H,6-7,12-15H2,1H3,(H,22,26).
What are the key properties of N-[3-(N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[3-(N-methylanilino)propyl]-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-[3-(N-methylanilino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 3237233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).