3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide

C15H22N2O3 — CID 110737466

IUPAC3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2CCN(C)C2)cc1OC
InChIInChI=1S/C15H22N2O3/c1-17-7-6-11(10-17)9-16-15(18)12-4-5-13(19-2)14(8-12)20-3/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,16,18)
InChIKeyBYIAAWNFXGWZAB-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.39
Rot. Bonds5

About 3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide

3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 110737466) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
PubChem CID110737466
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCC2CCN(C)C2)cc1OC
InChIInChI=1S/C15H22N2O3/c1-17-7-6-11(10-17)9-16-15(18)12-4-5-13(19-2)14(8-12)20-3/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,16,18)
InChIKeyBYIAAWNFXGWZAB-UHFFFAOYSA-N
XLogP1.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
CID 106124772
N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-3,4-dimethoxybenzamide
CID 108935484
3,4-dimethoxy-N-[[1-(3-methylbut-2-enoyl)piperidin-4-yl]methyl]benzamide
CID 108935524
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640456
N-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 51126349
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide
CID 66004934
N-[(3-hydroxycyclopentyl)methyl]-3,4-dimethoxybenzamide
CID 103280095
3,4-dichloro-N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]benzamide
CID 108935184

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide (CID 110737466) is 3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide is COc1ccc(C(=O)NCC2CCN(C)C2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is BYIAAWNFXGWZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-17-7-6-11(10-17)9-16-15(18)12-4-5-13(19-2)14(8-12)20-3/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,16,18).
What are the key properties of 3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 278.35 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 110737466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).