3,5-dimethyl-4-pyrrolidin-1-ylbenzamide

C13H18N2O — CID 168513451

IUPAC3,5-dimethyl-4-pyrrolidin-1-ylbenzamide
SMILESCc1cc(C(N)=O)cc(C)c1N1CCCC1
InChIInChI=1S/C13H18N2O/c1-9-7-11(13(14)16)8-10(2)12(9)15-5-3-4-6-15/h7-8H,3-6H2,1-2H3,(H2,14,16)
InChIKeyGXIXNWRGYBYAAT-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.00
Rot. Bonds2

About 3,5-dimethyl-4-pyrrolidin-1-ylbenzamide

3,5-dimethyl-4-pyrrolidin-1-ylbenzamide (PubChem CID 168513451) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3,5-dimethyl-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name3,5-dimethyl-4-pyrrolidin-1-ylbenzamide
PubChem CID168513451
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3,5-dimethyl-4-pyrrolidin-1-ylbenzamide
SMILESCc1cc(C(N)=O)cc(C)c1N1CCCC1
InChIInChI=1S/C13H18N2O/c1-9-7-11(13(14)16)8-10(2)12(9)15-5-3-4-6-15/h7-8H,3-6H2,1-2H3,(H2,14,16)
InChIKeyGXIXNWRGYBYAAT-UHFFFAOYSA-N
XLogP2.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-pyrrolidin-1-ylbenzamide
CID 68604380
benzene-1,4-dicarboxamide;3-methyl-4-(piperidine-1-carbonyl)benzamide
CID 66934139
5-amino-2-methyl-4-piperidin-1-ylbenzamide
CID 146170473
4-amino-3-pyrrolidin-1-ylbenzamide
CID 63355693
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide
CID 30218966
3-hydroxy-4,5-dimethylbenzamide
CID 130882471
5-methyl-2-piperidin-1-ylbenzene-1,3-dicarboxylic acid
CID 174667046
3,5-dimethyl-2-piperidin-1-ylaniline
CID 30029941
N-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide
CID 74244825
2-(azepan-1-yl)-4,6-dimethylpyridine-3-carboxamide
CID 17436858
5-methyl-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 66935695
2-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]acetic acid
CID 4741827

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of 3,5-dimethyl-4-pyrrolidin-1-ylbenzamide (CID 168513451) is 3,5-dimethyl-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 3,5-dimethyl-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 3,5-dimethyl-4-pyrrolidin-1-ylbenzamide is Cc1cc(C(N)=O)cc(C)c1N1CCCC1.
What is the InChIKey of 3,5-dimethyl-4-pyrrolidin-1-ylbenzamide?
The InChIKey is GXIXNWRGYBYAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-7-11(13(14)16)8-10(2)12(9)15-5-3-4-6-15/h7-8H,3-6H2,1-2H3,(H2,14,16).
What are the key properties of 3,5-dimethyl-4-pyrrolidin-1-ylbenzamide?
3,5-dimethyl-4-pyrrolidin-1-ylbenzamide has a molecular weight of 218.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 168513451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).