2,6-dimethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide

C19H22N2O3 — CID 954601

IUPAC2,6-dimethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H22N2O3/c1-23-16-6-5-7-17(24-2)18(16)19(22)20-14-8-10-15(11-9-14)21-12-3-4-13-21/h5-11H,3-4,12-13H2,1-2H3,(H,20,22)
InChIKeyQIMIHPHWKJGORJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.56
Rot. Bonds5

About 2,6-dimethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide

2,6-dimethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 954601) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID954601
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2,6-dimethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H22N2O3/c1-23-16-6-5-7-17(24-2)18(16)19(22)20-14-8-10-15(11-9-14)21-12-3-4-13-21/h5-11H,3-4,12-13H2,1-2H3,(H,20,22)
InChIKeyQIMIHPHWKJGORJ-UHFFFAOYSA-N
XLogP3.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide (CID 954601) is 2,6-dimethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide is COc1cccc(OC)c1C(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2,6-dimethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is QIMIHPHWKJGORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-16-6-5-7-17(24-2)18(16)19(22)20-14-8-10-15(11-9-14)21-12-3-4-13-21/h5-11H,3-4,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2,6-dimethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
2,6-dimethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 954601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).