3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide

C21H26N2O — CID 43842823

IUPAC3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCc1ccc(C(CNC(=O)c2cccc(C)c2)N2CCCC2)cc1
InChIInChI=1S/C21H26N2O/c1-16-8-10-18(11-9-16)20(23-12-3-4-13-23)15-22-21(24)19-7-5-6-17(2)14-19/h5-11,14,20H,3-4,12-13,15H2,1-2H3,(H,22,24)
InChIKeyFPQOMHUFMBYCHS-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.87
Rot. Bonds5

About 3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide

3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 43842823) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID43842823
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCc1ccc(C(CNC(=O)c2cccc(C)c2)N2CCCC2)cc1
InChIInChI=1S/C21H26N2O/c1-16-8-10-18(11-9-16)20(23-12-3-4-13-23)15-22-21(24)19-7-5-6-17(2)14-19/h5-11,14,20H,3-4,12-13,15H2,1-2H3,(H,22,24)
InChIKeyFPQOMHUFMBYCHS-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 45155327
N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-3-methylbenzamide
CID 35579010
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011556
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3-ethoxybenzamide
CID 34954508
N-[2-(3,4-dimethoxyphenyl)-2-piperidin-1-ylethyl]-3-methylbenzamide
CID 112505140
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-propoxybenzamide
CID 43842968
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012410
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-3-propoxybenzamide;hydrochloride
CID 52985153
N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]-3-propoxybenzamide
CID 17012220
3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17011590

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide (CID 43842823) is 3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide is Cc1ccc(C(CNC(=O)c2cccc(C)c2)N2CCCC2)cc1.
What is the InChIKey of 3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is FPQOMHUFMBYCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16-8-10-18(11-9-16)20(23-12-3-4-13-23)15-22-21(24)19-7-5-6-17(2)14-19/h5-11,14,20H,3-4,12-13,15H2,1-2H3,(H,22,24).
What are the key properties of 3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 322.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 43842823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).