2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

C20H24N2O — CID 94099357

IUPAC2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESCc1ccccc1C(=O)NCc1cccc(CN2CCCC2)c1
InChIInChI=1S/C20H24N2O/c1-16-7-2-3-10-19(16)20(23)21-14-17-8-6-9-18(13-17)15-22-11-4-5-12-22/h2-3,6-10,13H,4-5,11-12,14-15H2,1H3,(H,21,23)
InChIKeyVCRXNSPUPIZHBJ-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.52
Rot. Bonds5

About 2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide

2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 94099357) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID94099357
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESCc1ccccc1C(=O)NCc1cccc(CN2CCCC2)c1
InChIInChI=1S/C20H24N2O/c1-16-7-2-3-10-19(16)20(23)21-14-17-8-6-9-18(13-17)15-22-11-4-5-12-22/h2-3,6-10,13H,4-5,11-12,14-15H2,1H3,(H,21,23)
InChIKeyVCRXNSPUPIZHBJ-UHFFFAOYSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethyl]benzamide
CID 46417268
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-methyl-4-nitrobenzamide
CID 60616143
3-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 47026736
N-[[3-(bromomethyl)phenyl]methyl]-2-methylbenzamide
CID 114312955
4-methyl-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 46971543
(2-methylphenyl)-[3-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724725
N-[[3-[4-[(3-chloro-4-methoxyphenyl)methyl]piperazin-1-yl]phenyl]methyl]-2-methylbenzamide
CID 23108590
2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55971149
2-amino-2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 119847245
1-[(4-methylphenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917625
4-amino-N-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 126788876
2-methyl-N-[[3-[(2-phenylethylcarbamoylamino)methyl]phenyl]methyl]benzamide
CID 23824532

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide (CID 94099357) is 2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide is Cc1ccccc1C(=O)NCc1cccc(CN2CCCC2)c1.
What is the InChIKey of 2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is VCRXNSPUPIZHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-16-7-2-3-10-19(16)20(23)21-14-17-8-6-9-18(13-17)15-22-11-4-5-12-22/h2-3,6-10,13H,4-5,11-12,14-15H2,1H3,(H,21,23).
What are the key properties of 2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide?
2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 308.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 94099357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).