3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C15H23ClN2O2 — CID 119533031

IUPAC3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1cccc(OC)c1)C1CCNC1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-3-9-17(13-7-8-16-11-13)15(18)12-5-4-6-14(10-12)19-2;/h4-6,10,13,16H,3,7-9,11H2,1-2H3;1H
InChIKeyZAYYJSOGEWAIPV-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.33
Rot. Bonds5

About 3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119533031) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119533031
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1cccc(OC)c1)C1CCNC1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-3-9-17(13-7-8-16-11-13)15(18)12-5-4-6-14(10-12)19-2;/h4-6,10,13,16H,3,7-9,11H2,1-2H3;1H
InChIKeyZAYYJSOGEWAIPV-UHFFFAOYSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530577
N-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide
CID 60805866
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
3-(2-methoxyethoxy)-N-piperidin-4-yl-N-propylbenzamide
CID 119822999
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806673
1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533221
2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119529988
3,4,5-trimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530647
2-bromo-5-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300965
3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532395
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823113

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119533031) is 3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is CCCN(C(=O)c1cccc(OC)c1)C1CCNC1.Cl.
What is the InChIKey of 3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is ZAYYJSOGEWAIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-3-9-17(13-7-8-16-11-13)15(18)12-5-4-6-14(10-12)19-2;/h4-6,10,13,16H,3,7-9,11H2,1-2H3;1H.
What are the key properties of 3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119533031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).