3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide

C15H22N2O2 — CID 60806501

IUPAC3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)C2CCNC2)cc1
InChIInChI=1S/C15H22N2O2/c1-17(13-9-10-16-11-13)15(18)8-5-12-3-6-14(19-2)7-4-12/h3-4,6-7,13,16H,5,8-11H2,1-2H3
InChIKeyCOVCJOAAAOBXOQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.45
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide

3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 60806501) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide
PubChem CID60806501
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide
SMILESCOc1ccc(CCC(=O)N(C)C2CCNC2)cc1
InChIInChI=1S/C15H22N2O2/c1-17(13-9-10-16-11-13)15(18)8-5-12-3-6-14(19-2)7-4-12/h3-4,6-7,13,16H,5,8-11H2,1-2H3
InChIKeyCOVCJOAAAOBXOQ-UHFFFAOYSA-N
XLogP1.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide (CID 60806501) is 3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide is COc1ccc(CCC(=O)N(C)C2CCNC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is COVCJOAAAOBXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(13-9-10-16-11-13)15(18)8-5-12-3-6-14(19-2)7-4-12/h3-4,6-7,13,16H,5,8-11H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide?
3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 262.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 60806501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).