4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide

C20H24N2O2 — CID 56559078

IUPAC4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(N3CCC(C)C3)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-3-24-19-10-4-16(5-11-19)20(23)21-17-6-8-18(9-7-17)22-13-12-15(2)14-22/h4-11,15H,3,12-14H2,1-2H3,(H,21,23)
InChIKeyXBQJJBUVHPTKSJ-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.18
Rot. Bonds5

About 4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide

4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide (PubChem CID 56559078) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
PubChem CID56559078
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(N3CCC(C)C3)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-3-24-19-10-4-16(5-11-19)20(23)21-17-6-8-18(9-7-17)22-13-12-15(2)14-22/h4-11,15H,3,12-14H2,1-2H3,(H,21,23)
InChIKeyXBQJJBUVHPTKSJ-UHFFFAOYSA-N
XLogP4.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenyl)sulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide
CID 56556168
1-(4-ethoxyphenyl)-3-methylpyrrolidine
CID 143805515
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 56556326
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-propan-2-ylsulfanylbenzamide
CID 56555924
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 56556000
4-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 8930959
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 56555972
3-bromo-5-fluoro-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56556215
4-[(4-methylphenyl)sulfamoyl]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56557769
4-(cyclohexylmethoxy)-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867737
N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-4-but-3-enoxybenzamide
CID 58867337
N-(4-cyclopentyloxyphenyl)-4-ethoxybenzamide
CID 36565370

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide (CID 56559078) is 4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(N3CCC(C)C3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is XBQJJBUVHPTKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-24-19-10-4-16(5-11-19)20(23)21-17-6-8-18(9-7-17)22-13-12-15(2)14-22/h4-11,15H,3,12-14H2,1-2H3,(H,21,23).
What are the key properties of 4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide?
4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 324.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 56559078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).