N-(2,6-dimethylphenyl)-2-(pyrrolidin-1-ylmethyl)benzamide

C20H24N2O — CID 12806258

IUPACN-(2,6-dimethylphenyl)-2-(pyrrolidin-1-ylmethyl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccccc1CN1CCCC1
InChIInChI=1S/C20H24N2O/c1-15-8-7-9-16(2)19(15)21-20(23)18-11-4-3-10-17(18)14-22-12-5-6-13-22/h3-4,7-11H,5-6,12-14H2,1-2H3,(H,21,23)
InChIKeyGAOSBOHAGWIMBU-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.15
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-(pyrrolidin-1-ylmethyl)benzamide

N-(2,6-dimethylphenyl)-2-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 12806258) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID12806258
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-(2,6-dimethylphenyl)-2-(pyrrolidin-1-ylmethyl)benzamide
SMILESCc1cccc(C)c1NC(=O)c1ccccc1CN1CCCC1
InChIInChI=1S/C20H24N2O/c1-15-8-7-9-16(2)19(15)21-20(23)18-11-4-3-10-17(18)14-22-12-5-6-13-22/h3-4,7-11H,5-6,12-14H2,1-2H3,(H,21,23)
InChIKeyGAOSBOHAGWIMBU-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)-2-(piperidin-1-ylmethyl)benzamide;hydrochloride
CID 12806265
methyl 2-(azepan-1-ylmethyl)benzoate
CID 28748836
2-[[2-(azepan-1-ylmethyl)benzoyl]amino]acetic acid
CID 92922585
N-(2,6-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46341535
1-[(2-methylphenyl)methyl]azetidine;hydrochloride
CID 166756979
N-methyl-2-(morpholin-4-ylmethyl)benzamide
CID 83387497
(3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725235
N-(2-ethyl-6-methylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 8761765
3-methyl-2-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 17499796
2-benzyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 7900260
(3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725201
N-[(1S,2R)-2-hydroxycyclohexyl]-2-(pyrrolidin-1-ylmethyl)benzamide
CID 171674975

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(pyrrolidin-1-ylmethyl)benzamide (CID 12806258) is N-(2,6-dimethylphenyl)-2-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(pyrrolidin-1-ylmethyl)benzamide is Cc1cccc(C)c1NC(=O)c1ccccc1CN1CCCC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is GAOSBOHAGWIMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-15-8-7-9-16(2)19(15)21-20(23)18-11-4-3-10-17(18)14-22-12-5-6-13-22/h3-4,7-11H,5-6,12-14H2,1-2H3,(H,21,23).
What are the key properties of N-(2,6-dimethylphenyl)-2-(pyrrolidin-1-ylmethyl)benzamide?
N-(2,6-dimethylphenyl)-2-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 308.43 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 12806258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).