4-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride

C15H23ClN2O2 — CID 2948426

IUPAC4-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
SMILESCCOc1ccc(C(=O)NCCN2CCCC2)cc1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-2-19-14-7-5-13(6-8-14)15(18)16-9-12-17-10-3-4-11-17;/h5-8H,2-4,9-12H2,1H3,(H,16,18);1H
InChIKeyQQVAWDSJGLOLGC-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.33
Rot. Bonds6

About 4-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride

4-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride (PubChem CID 2948426) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 4-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
PubChem CID2948426
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name4-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
SMILESCCOc1ccc(C(=O)NCCN2CCCC2)cc1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-2-19-14-7-5-13(6-8-14)15(18)16-9-12-17-10-3-4-11-17;/h5-8H,2-4,9-12H2,1H3,(H,16,18);1H
InChIKeyQQVAWDSJGLOLGC-UHFFFAOYSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride (CID 2948426) is 4-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride is CCOc1ccc(C(=O)NCCN2CCCC2)cc1.Cl.
What is the InChIKey of 4-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is QQVAWDSJGLOLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-2-19-14-7-5-13(6-8-14)15(18)16-9-12-17-10-3-4-11-17;/h5-8H,2-4,9-12H2,1H3,(H,16,18);1H.
What are the key properties of 4-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride?
4-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 2948426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).