4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

C17H27ClN2O2 — CID 119534630

IUPAC4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCCCCOc1ccc(C(=O)NCCC2CCNC2)cc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-2-3-12-21-16-6-4-15(5-7-16)17(20)19-11-9-14-8-10-18-13-14;/h4-7,14,18H,2-3,8-13H2,1H3,(H,19,20);1H
InChIKeyIUQVWTUKNDVADY-UHFFFAOYSA-N
MW326.87 g/mol
LogP3.02
Rot. Bonds8

About 4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119534630) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119534630
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCCCCOc1ccc(C(=O)NCCC2CCNC2)cc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-2-3-12-21-16-6-4-15(5-7-16)17(20)19-11-9-14-8-10-18-13-14;/h4-7,14,18H,2-3,8-13H2,1H3,(H,19,20);1H
InChIKeyIUQVWTUKNDVADY-UHFFFAOYSA-N
XLogP3.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-methylbutoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536052
4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534238
4-(2-amino-2-oxoethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534239
4-(cyclohexylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537467
4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453192
4-(4-ethoxyphenoxy)-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534000
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
4-pentoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119463502
3-(4-propoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119536345
4-ethoxy-N-[3-methyl-1-oxo-1-(2-pyrrolidin-3-ylethylamino)butan-2-yl]benzamide
CID 119537745

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (CID 119534630) is 4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is CCCCOc1ccc(C(=O)NCCC2CCNC2)cc1.Cl.
What is the InChIKey of 4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is IUQVWTUKNDVADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-2-3-12-21-16-6-4-15(5-7-16)17(20)19-11-9-14-8-10-18-13-14;/h4-7,14,18H,2-3,8-13H2,1H3,(H,19,20);1H.
What are the key properties of 4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119534630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).