N-(2-methoxy-3,5-dimethylphenyl)-N-methylpyrrolidine-2-carboxamide

C15H22N2O2 — CID 115159221

IUPACN-(2-methoxy-3,5-dimethylphenyl)-N-methylpyrrolidine-2-carboxamide
SMILESCOc1c(C)cc(C)cc1N(C)C(=O)C1CCCN1
InChIInChI=1S/C15H22N2O2/c1-10-8-11(2)14(19-4)13(9-10)17(3)15(18)12-6-5-7-16-12/h8-9,12,16H,5-7H2,1-4H3
InChIKeyVSQBOOPVPXCABO-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.03
Rot. Bonds3

About N-(2-methoxy-3,5-dimethylphenyl)-N-methylpyrrolidine-2-carboxamide

N-(2-methoxy-3,5-dimethylphenyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 115159221) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2-methoxy-3,5-dimethylphenyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-3,5-dimethylphenyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID115159221
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2-methoxy-3,5-dimethylphenyl)-N-methylpyrrolidine-2-carboxamide
SMILESCOc1c(C)cc(C)cc1N(C)C(=O)C1CCCN1
InChIInChI=1S/C15H22N2O2/c1-10-8-11(2)14(19-4)13(9-10)17(3)15(18)12-6-5-7-16-12/h8-9,12,16H,5-7H2,1-4H3
InChIKeyVSQBOOPVPXCABO-UHFFFAOYSA-N
XLogP2.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-3,5-dimethylphenyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methoxy-3,5-dimethylphenyl)-N-methylpyrrolidine-2-carboxamide (CID 115159221) is N-(2-methoxy-3,5-dimethylphenyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-3,5-dimethylphenyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methoxy-3,5-dimethylphenyl)-N-methylpyrrolidine-2-carboxamide is COc1c(C)cc(C)cc1N(C)C(=O)C1CCCN1.
What is the InChIKey of N-(2-methoxy-3,5-dimethylphenyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is VSQBOOPVPXCABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-8-11(2)14(19-4)13(9-10)17(3)15(18)12-6-5-7-16-12/h8-9,12,16H,5-7H2,1-4H3.
What are the key properties of N-(2-methoxy-3,5-dimethylphenyl)-N-methylpyrrolidine-2-carboxamide?
N-(2-methoxy-3,5-dimethylphenyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-3,5-dimethylphenyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 115159221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).