2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide

C15H22N2O — CID 70845742

IUPAC2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCC1CCCN1C
InChIInChI=1S/C15H22N2O/c1-12-6-3-4-8-14(12)15(18)16-10-9-13-7-5-11-17(13)2/h3-4,6,8,13H,5,7,9-11H2,1-2H3,(H,16,18)
InChIKeyPXIDAHFSGPHIEX-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.21
Rot. Bonds4

About 2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide

2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide (PubChem CID 70845742) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
PubChem CID70845742
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCC1CCCN1C
InChIInChI=1S/C15H22N2O/c1-12-6-3-4-8-14(12)15(18)16-10-9-13-7-5-11-17(13)2/h3-4,6,8,13H,5,7,9-11H2,1-2H3,(H,16,18)
InChIKeyPXIDAHFSGPHIEX-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
3-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 110867653
2-(2,6-dimethylphenyl)-4-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3-dihydro-1,3-thiazole-5-carboxamide
CID 70831671
N-[2-(cyclopropylamino)ethyl]-2-methylbenzamide
CID 62663478
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 57383897
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-2-methylbenzamide
CID 46378988
2-fluoro-3-methyl-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81480197
3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]imidazo[4,5-b]pyridine-7-carboxamide
CID 155952965
N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide
CID 108538982
1-methyl-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]urea
CID 99919601
2-amino-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,8-naphthyridine-3-carboxamide
CID 166390484
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-oxo-1H-cinnoline-3-carboxamide
CID 21241423

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide (CID 70845742) is 2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide is Cc1ccccc1C(=O)NCCC1CCCN1C.
What is the InChIKey of 2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide?
The InChIKey is PXIDAHFSGPHIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-6-3-4-8-14(12)15(18)16-10-9-13-7-5-11-17(13)2/h3-4,6,8,13H,5,7,9-11H2,1-2H3,(H,16,18).
What are the key properties of 2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide?
2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide has a molecular weight of 246.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide is sourced from PubChem (CID 70845742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).