3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C18H29ClN2O3 — CID 119530577

IUPAC3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1cccc(OCCCOC)c1)C1CCNC1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-3-10-20(16-8-9-19-14-16)18(21)15-6-4-7-17(13-15)23-12-5-11-22-2;/h4,6-7,13,16,19H,3,5,8-12,14H2,1-2H3;1H
InChIKeyIDBXMEFUNZCVOX-UHFFFAOYSA-N
MW356.89 g/mol
LogP2.74
Rot. Bonds9

About 3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119530577) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is 3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119530577
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC Name3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCCCN(C(=O)c1cccc(OCCCOC)c1)C1CCNC1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-3-10-20(16-8-9-19-14-16)18(21)15-6-4-7-17(13-15)23-12-5-11-22-2;/h4,6-7,13,16,19H,3,5,8-12,14H2,1-2H3;1H
InChIKeyIDBXMEFUNZCVOX-UHFFFAOYSA-N
XLogP2.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethoxy)-N-piperidin-4-yl-N-propylbenzamide
CID 119822999
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119441938
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533221
3-(2-methoxyethoxy)-N-methyl-N-piperidin-4-ylbenzamide
CID 119441131
3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 60807030
3-[(3-methylphenyl)methoxy]-N-piperidin-4-yl-N-propylbenzamide
CID 119825677
3,4,5-trimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530647
3-cyano-N-piperidin-4-yl-N-propylbenzamide
CID 60806422
3-methoxy-4-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532395
N-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide
CID 62920027

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119530577) is 3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is CCCN(C(=O)c1cccc(OCCCOC)c1)C1CCNC1.Cl.
What is the InChIKey of 3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is IDBXMEFUNZCVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-3-10-20(16-8-9-19-14-16)18(21)15-6-4-7-17(13-15)23-12-5-11-22-2;/h4,6-7,13,16,19H,3,5,8-12,14H2,1-2H3;1H.
What are the key properties of 3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119530577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).