3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide

C15H22N2O2 — CID 63624894

IUPAC3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCOc1cc(C(=O)NCCC2CCNC2)ccc1C
InChIInChI=1S/C15H22N2O2/c1-11-3-4-13(9-14(11)19-2)15(18)17-8-6-12-5-7-16-10-12/h3-4,9,12,16H,5-8,10H2,1-2H3,(H,17,18)
InChIKeyHCTCHBJHRFREEO-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.73
Rot. Bonds5

About 3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide

3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 63624894) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID63624894
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESCOc1cc(C(=O)NCCC2CCNC2)ccc1C
InChIInChI=1S/C15H22N2O2/c1-11-3-4-13(9-14(11)19-2)15(18)17-8-6-12-5-7-16-10-12/h3-4,9,12,16H,5-8,10H2,1-2H3,(H,17,18)
InChIKeyHCTCHBJHRFREEO-UHFFFAOYSA-N
XLogP1.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
3-methoxy-4-prop-2-enoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537216
3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534962
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628220
2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535388
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
5-methoxy-N-(2-pyrrolidin-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 119537870
3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119558587
3-methoxy-5-methyl-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 119537568
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 63624894) is 3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide is COc1cc(C(=O)NCCC2CCNC2)ccc1C.
What is the InChIKey of 3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is HCTCHBJHRFREEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-3-4-13(9-14(11)19-2)15(18)17-8-6-12-5-7-16-10-12/h3-4,9,12,16H,5-8,10H2,1-2H3,(H,17,18).
What are the key properties of 3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide?
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 262.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 63624894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).