3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide

C20H24N2O — CID 110640446

IUPAC3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NCC2CCN(c3cccc(C)c3)C2)c1
InChIInChI=1S/C20H24N2O/c1-15-5-3-7-18(11-15)20(23)21-13-17-9-10-22(14-17)19-8-4-6-16(2)12-19/h3-8,11-12,17H,9-10,13-14H2,1-2H3,(H,21,23)
InChIKeyOURBWPCYOPAIOM-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.56
Rot. Bonds4

About 3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide

3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 110640446) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID110640446
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NCC2CCN(c3cccc(C)c3)C2)c1
InChIInChI=1S/C20H24N2O/c1-15-5-3-7-18(11-15)20(23)21-13-17-9-10-22(14-17)19-8-4-6-16(2)12-19/h3-8,11-12,17H,9-10,13-14H2,1-2H3,(H,21,23)
InChIKeyOURBWPCYOPAIOM-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640456
2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640445
N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide
CID 110640432
6-methyl-N-[[(3S)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide
CID 125160463
2,6-dimethyl-N-[[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 125161213
N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pentanamide
CID 110413858
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110414263
tert-butyl (3R)-3-[[(3-methylbenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 99854116
6-tert-butyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide
CID 91777783
N-[(4-bromocyclohexyl)methyl]-3-methylbenzamide
CID 106134528
3-methyl-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 40876165

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide (CID 110640446) is 3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide is Cc1cccc(C(=O)NCC2CCN(c3cccc(C)c3)C2)c1.
What is the InChIKey of 3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is OURBWPCYOPAIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-5-3-7-18(11-15)20(23)21-13-17-9-10-22(14-17)19-8-4-6-16(2)12-19/h3-8,11-12,17H,9-10,13-14H2,1-2H3,(H,21,23).
What are the key properties of 3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?
3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 308.43 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 110640446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).