4-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxamide

C15H22N2O3 — CID 114487056

IUPAC4-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxamide
SMILESCOc1ccc(CC2(C)CNCC2C(N)=O)cc1OC
InChIInChI=1S/C15H22N2O3/c1-15(9-17-8-11(15)14(16)18)7-10-4-5-12(19-2)13(6-10)20-3/h4-6,11,17H,7-9H2,1-3H3,(H2,16,18)
InChIKeyPIJOHNCSBVNYPJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.96
Rot. Bonds5

About 4-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxamide

4-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 114487056) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID114487056
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxamide
SMILESCOc1ccc(CC2(C)CNCC2C(N)=O)cc1OC
InChIInChI=1S/C15H22N2O3/c1-15(9-17-8-11(15)14(16)18)7-10-4-5-12(19-2)13(6-10)20-3/h4-6,11,17H,7-9H2,1-3H3,(H2,16,18)
InChIKeyPIJOHNCSBVNYPJ-UHFFFAOYSA-N
XLogP0.96
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of 4-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxamide (CID 114487056) is 4-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 4-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 4-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxamide is COc1ccc(CC2(C)CNCC2C(N)=O)cc1OC.
What is the InChIKey of 4-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is PIJOHNCSBVNYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(9-17-8-11(15)14(16)18)7-10-4-5-12(19-2)13(6-10)20-3/h4-6,11,17H,7-9H2,1-3H3,(H2,16,18).
What are the key properties of 4-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxamide?
4-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114487056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).