5-methyl-2-pyrrolidin-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide

C18H27N3O — CID 119536950

IUPAC5-methyl-2-pyrrolidin-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCc1ccc(N2CCCC2)c(C(=O)NCCC2CCNC2)c1
InChIInChI=1S/C18H27N3O/c1-14-4-5-17(21-10-2-3-11-21)16(12-14)18(22)20-9-7-15-6-8-19-13-15/h4-5,12,15,19H,2-3,6-11,13H2,1H3,(H,20,22)
InChIKeyDDLWSGDJHJZFQG-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.32
Rot. Bonds5

About 5-methyl-2-pyrrolidin-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide

5-methyl-2-pyrrolidin-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 119536950) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 5-methyl-2-pyrrolidin-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name5-methyl-2-pyrrolidin-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID119536950
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name5-methyl-2-pyrrolidin-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCc1ccc(N2CCCC2)c(C(=O)NCCC2CCNC2)c1
InChIInChI=1S/C18H27N3O/c1-14-4-5-17(21-10-2-3-11-21)16(12-14)18(22)20-9-7-15-6-8-19-13-15/h4-5,12,15,19H,2-3,6-11,13H2,1H3,(H,20,22)
InChIKeyDDLWSGDJHJZFQG-UHFFFAOYSA-N
XLogP2.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-pyrrolidin-1-ylbenzamide
CID 95629166
2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 106862146
2-piperidin-1-yl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119535955
2-fluoro-4-(4-methylphenyl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119533790
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
5-methyl-2-nitro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556879
2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide
CID 119537626
2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119537084
3-chloro-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 107098145
2-[(4-methylphenyl)sulfonylamino]-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536326
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537013

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyrrolidin-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 5-methyl-2-pyrrolidin-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 119536950) is 5-methyl-2-pyrrolidin-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 5-methyl-2-pyrrolidin-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 5-methyl-2-pyrrolidin-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide is Cc1ccc(N2CCCC2)c(C(=O)NCCC2CCNC2)c1.
What is the InChIKey of 5-methyl-2-pyrrolidin-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is DDLWSGDJHJZFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14-4-5-17(21-10-2-3-11-21)16(12-14)18(22)20-9-7-15-6-8-19-13-15/h4-5,12,15,19H,2-3,6-11,13H2,1H3,(H,20,22).
What are the key properties of 5-methyl-2-pyrrolidin-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide?
5-methyl-2-pyrrolidin-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 301.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyrrolidin-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 119536950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).