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

C15H22N2O3 — CID 63628220

IUPAC3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCC2CCNC2)c1
InChIInChI=1S/C15H22N2O3/c1-19-13-7-12(8-14(9-13)20-2)15(18)17-6-4-11-3-5-16-10-11/h7-9,11,16H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyOFRXQXSEZMFMSZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.43
Rot. Bonds6

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

3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 63628220) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID63628220
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCC2CCNC2)c1
InChIInChI=1S/C15H22N2O3/c1-19-13-7-12(8-14(9-13)20-2)15(18)17-6-4-11-3-5-16-10-11/h7-9,11,16H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyOFRXQXSEZMFMSZ-UHFFFAOYSA-N
XLogP1.43
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
3,5-dimethoxy-N-[3-methyl-1-oxo-1-(2-piperidin-3-ylethylamino)butan-2-yl]benzamide
CID 119558164
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535388
5-methoxy-N-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 119537870
3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 113460894
2-(3-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 55248998
3-methoxy-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 119537568
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
3-amino-N-(2-cyclopropylethyl)-5-methoxybenzamide
CID 81092217
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537216

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 63628220) is 3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide is COc1cc(OC)cc(C(=O)NCCC2CCNC2)c1.
What is the InChIKey of 3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is OFRXQXSEZMFMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-13-7-12(8-14(9-13)20-2)15(18)17-6-4-11-3-5-16-10-11/h7-9,11,16H,3-6,10H2,1-2H3,(H,17,18).
What are the key properties of 3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide?
3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 278.35 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 63628220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).