4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride

C16H25ClN2O2 — CID 119453192

IUPAC4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCCCOc1ccc(C(=O)NC2CCNC2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-2-3-4-11-20-15-7-5-13(6-8-15)16(19)18-14-9-10-17-12-14;/h5-8,14,17H,2-4,9-12H2,1H3,(H,18,19);1H
InChIKeyQFNZVPSVXIJZQG-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.77
Rot. Bonds7

About 4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride

4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119453192) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119453192
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCCCOc1ccc(C(=O)NC2CCNC2)cc1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-2-3-4-11-20-15-7-5-13(6-8-15)16(19)18-14-9-10-17-12-14;/h5-8,14,17H,2-4,9-12H2,1H3,(H,18,19);1H
InChIKeyQFNZVPSVXIJZQG-UHFFFAOYSA-N
XLogP2.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.77
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-ethoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453188
4-oxo-4-(4-pentoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453244
4-butoxy-N-cyclobutylbenzamide
CID 71449411
4-decyl-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride
CID 162755757
4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534630
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride
CID 119456286
4-pentoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119463502
4-butoxy-N-(1-pyrrolidin-3-ylethyl)benzamide
CID 103977142
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
4-butoxy-3-ethoxy-N-piperidin-3-ylbenzamide
CID 119426765
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452708

Frequently Asked Questions

What is the IUPAC name of 4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119453192) is 4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride is CCCCCOc1ccc(C(=O)NC2CCNC2)cc1.Cl.
What is the InChIKey of 4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is QFNZVPSVXIJZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-2-3-4-11-20-15-7-5-13(6-8-15)16(19)18-14-9-10-17-12-14;/h5-8,14,17H,2-4,9-12H2,1H3,(H,18,19);1H.
What are the key properties of 4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride?
4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119453192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).