N-(3,5-dimethylphenyl)-N,3-dimethylpyrrolidine-2-carboxamide

C15H22N2O — CID 102779294

IUPACN-(3,5-dimethylphenyl)-N,3-dimethylpyrrolidine-2-carboxamide
SMILESCc1cc(C)cc(N(C)C(=O)C2NCCC2C)c1
InChIInChI=1S/C15H22N2O/c1-10-7-11(2)9-13(8-10)17(4)15(18)14-12(3)5-6-16-14/h7-9,12,14,16H,5-6H2,1-4H3
InChIKeyBMLRRIHDJFSPER-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.26
Rot. Bonds2

About N-(3,5-dimethylphenyl)-N,3-dimethylpyrrolidine-2-carboxamide

N-(3,5-dimethylphenyl)-N,3-dimethylpyrrolidine-2-carboxamide (PubChem CID 102779294) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N,3-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N,3-dimethylpyrrolidine-2-carboxamide
PubChem CID102779294
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(3,5-dimethylphenyl)-N,3-dimethylpyrrolidine-2-carboxamide
SMILESCc1cc(C)cc(N(C)C(=O)C2NCCC2C)c1
InChIInChI=1S/C15H22N2O/c1-10-7-11(2)9-13(8-10)17(4)15(18)14-12(3)5-6-16-14/h7-9,12,14,16H,5-6H2,1-4H3
InChIKeyBMLRRIHDJFSPER-UHFFFAOYSA-N
XLogP2.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N,3-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N,3-dimethylpyrrolidine-2-carboxamide (CID 102779294) is N-(3,5-dimethylphenyl)-N,3-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N,3-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N,3-dimethylpyrrolidine-2-carboxamide is Cc1cc(C)cc(N(C)C(=O)C2NCCC2C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N,3-dimethylpyrrolidine-2-carboxamide?
The InChIKey is BMLRRIHDJFSPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10-7-11(2)9-13(8-10)17(4)15(18)14-12(3)5-6-16-14/h7-9,12,14,16H,5-6H2,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-N,3-dimethylpyrrolidine-2-carboxamide?
N-(3,5-dimethylphenyl)-N,3-dimethylpyrrolidine-2-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N,3-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102779294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).