3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide

C16H24N2O — CID 142245309

IUPAC3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1cc(C)cc(C(=O)NCCCN2CCCC2)c1
InChIInChI=1S/C16H24N2O/c1-13-10-14(2)12-15(11-13)16(19)17-6-5-9-18-7-3-4-8-18/h10-12H,3-9H2,1-2H3,(H,17,19)
InChIKeyJUZXROSJPNSGDR-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.52
Rot. Bonds5

About 3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide

3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 142245309) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID142245309
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESCc1cc(C)cc(C(=O)NCCCN2CCCC2)c1
InChIInChI=1S/C16H24N2O/c1-13-10-14(2)12-15(11-13)16(19)17-6-5-9-18-7-3-4-8-18/h10-12H,3-9H2,1-2H3,(H,17,19)
InChIKeyJUZXROSJPNSGDR-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
N-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide
CID 142245443
3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide
CID 107980133
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989
4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 115769516
N-[5-(azepan-1-yl)pentyl]-3,5-dimethoxybenzamide
CID 110444718
N-butyl-3,5-dimethylbenzamide
CID 17190927
3-(1,1-difluoroethyl)-5-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
CID 143176302
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108
5-hydroxy-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 55258279
5-bromo-N-(3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide
CID 60735543

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide (CID 142245309) is 3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide is Cc1cc(C)cc(C(=O)NCCCN2CCCC2)c1.
What is the InChIKey of 3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is JUZXROSJPNSGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13-10-14(2)12-15(11-13)16(19)17-6-5-9-18-7-3-4-8-18/h10-12H,3-9H2,1-2H3,(H,17,19).
What are the key properties of 3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide?
3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 260.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 142245309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).