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

C20H24N2O — CID 110640445

IUPAC2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCc1cccc(N2CCC(CNC(=O)c3ccccc3C)C2)c1
InChIInChI=1S/C20H24N2O/c1-15-6-5-8-18(12-15)22-11-10-17(14-22)13-21-20(23)19-9-4-3-7-16(19)2/h3-9,12,17H,10-11,13-14H2,1-2H3,(H,21,23)
InChIKeyCLUPVNPLSRCVIB-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.56
Rot. Bonds4

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

2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 110640445) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID110640445
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
SMILESCc1cccc(N2CCC(CNC(=O)c3ccccc3C)C2)c1
InChIInChI=1S/C20H24N2O/c1-15-6-5-8-18(12-15)22-11-10-17(14-22)13-21-20(23)19-9-4-3-7-16(19)2/h3-9,12,17H,10-11,13-14H2,1-2H3,(H,21,23)
InChIKeyCLUPVNPLSRCVIB-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-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640446
N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide
CID 110640432
2,6-dimethyl-N-[[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 125161213
6-methyl-N-[[(3S)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide
CID 125160463
3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640456
N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pentanamide
CID 110413858
5-amino-N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-2-methylbenzamide
CID 120645355
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
2,5-dimethyl-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrrole-3-carboxamide
CID 55678741
2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110413741
3-ethynyl-2-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 167781608
2-methyl-N-[[4-(3-methylphenyl)-5-oxomorpholin-2-yl]methyl]benzamide
CID 110367084

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide (CID 110640445) is 2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide is Cc1cccc(N2CCC(CNC(=O)c3ccccc3C)C2)c1.
What is the InChIKey of 2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is CLUPVNPLSRCVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-6-5-8-18(12-15)22-11-10-17(14-22)13-21-20(23)19-9-4-3-7-16(19)2/h3-9,12,17H,10-11,13-14H2,1-2H3,(H,21,23).
What are the key properties of 2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide?
2-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 2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 110640445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).