4-ethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide

C19H22N2O2 — CID 650825

IUPAC4-ethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C19H22N2O2/c1-2-23-18-11-5-15(6-12-18)19(22)20-16-7-9-17(10-8-16)21-13-3-4-14-21/h5-12H,2-4,13-14H2,1H3,(H,20,22)
InChIKeyBFVIBMGKIIFIGN-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.94
Rot. Bonds5

About 4-ethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide

4-ethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 650825) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-ethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID650825
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-ethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C19H22N2O2/c1-2-23-18-11-5-15(6-12-18)19(22)20-16-7-9-17(10-8-16)21-13-3-4-14-21/h5-12H,2-4,13-14H2,1H3,(H,20,22)
InChIKeyBFVIBMGKIIFIGN-UHFFFAOYSA-N
XLogP3.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.94
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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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 4-ethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide (CID 650825) is 4-ethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-ethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide is CCOc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is BFVIBMGKIIFIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-23-18-11-5-15(6-12-18)19(22)20-16-7-9-17(10-8-16)21-13-3-4-14-21/h5-12H,2-4,13-14H2,1H3,(H,20,22).
What are the key properties of 4-ethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide?
4-ethoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 310.40 g/mol, XLogP of 3.94, 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-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 650825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).