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

C14H20N2O3 — CID 110737599

IUPAC3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCN(C)C2)cc1OC
InChIInChI=1S/C14H20N2O3/c1-16-7-6-11(9-16)15-14(17)10-4-5-12(18-2)13(8-10)19-3/h4-5,8,11H,6-7,9H2,1-3H3,(H,15,17)
InChIKeyFNMQTXKKWIUGBK-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.14
Rot. Bonds4

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

3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide (PubChem CID 110737599) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
PubChem CID110737599
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCN(C)C2)cc1OC
InChIInChI=1S/C14H20N2O3/c1-16-7-6-11(9-16)15-14(17)10-4-5-12(18-2)13(8-10)19-3/h4-5,8,11H,6-7,9H2,1-3H3,(H,15,17)
InChIKeyFNMQTXKKWIUGBK-UHFFFAOYSA-N
XLogP1.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 89186292
4-hydroxy-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 110463703
3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 5017279
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
4-tert-butyl-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 155022118
[2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate
CID 150279764
4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 107074871
3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144613
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034
3-methoxy-N-(1-methylpiperidin-4-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55824873
4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47368477

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide (CID 110737599) is 3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide is COc1ccc(C(=O)NC2CCN(C)C2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide?
The InChIKey is FNMQTXKKWIUGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16-7-6-11(9-16)15-14(17)10-4-5-12(18-2)13(8-10)19-3/h4-5,8,11H,6-7,9H2,1-3H3,(H,15,17).
What are the key properties of 3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide?
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide has a molecular weight of 264.32 g/mol, XLogP of 1.14, 4 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)benzamide is sourced from PubChem (CID 110737599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).