2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

C15H23ClN2O3 — CID 119535388

IUPAC2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCOc1ccc(OC)c(C(=O)NCCC2CCNC2)c1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-19-12-3-4-14(20-2)13(9-12)15(18)17-8-6-11-5-7-16-10-11;/h3-4,9,11,16H,5-8,10H2,1-2H3,(H,17,18);1H
InChIKeyXGBJKGANQVNXOC-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.86
Rot. Bonds6

About 2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119535388) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119535388
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCOc1ccc(OC)c(C(=O)NCCC2CCNC2)c1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-19-12-3-4-14(20-2)13(9-12)15(18)17-8-6-11-5-7-16-10-11;/h3-4,9,11,16H,5-8,10H2,1-2H3,(H,17,18);1H
InChIKeyXGBJKGANQVNXOC-UHFFFAOYSA-N
XLogP1.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537854
2,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide
CID 60894812
2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535878
2-methoxy-5-nitro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537862
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630238
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628220
2-[(4-methoxybenzoyl)amino]-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537859
2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 114699962
3-methoxy-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 119537568
2-(3-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 55248998
2-(5-chloro-2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119533390

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (CID 119535388) is 2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is COc1ccc(OC)c(C(=O)NCCC2CCNC2)c1.Cl.
What is the InChIKey of 2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is XGBJKGANQVNXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-19-12-3-4-14(20-2)13(9-12)15(18)17-8-6-11-5-7-16-10-11;/h3-4,9,11,16H,5-8,10H2,1-2H3,(H,17,18);1H.
What are the key properties of 2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119535388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).