3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide

C13H18N2O2 — CID 60806673

IUPAC3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCOc1cccc(C(=O)N(C)C2CCNC2)c1
InChIInChI=1S/C13H18N2O2/c1-15(11-6-7-14-9-11)13(16)10-4-3-5-12(8-10)17-2/h3-5,8,11,14H,6-7,9H2,1-2H3
InChIKeyWINJPKJXKDQKJA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.13
Rot. Bonds3

About 3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide

3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 60806673) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
PubChem CID60806673
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCOc1cccc(C(=O)N(C)C2CCNC2)c1
InChIInChI=1S/C13H18N2O2/c1-15(11-6-7-14-9-11)13(16)10-4-3-5-12(8-10)17-2/h3-5,8,11,14H,6-7,9H2,1-2H3
InChIKeyWINJPKJXKDQKJA-UHFFFAOYSA-N
XLogP1.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805831
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
N-(2-amino-2-oxoethyl)-3-methoxy-N-pyrrolidin-3-ylbenzamide
CID 60805866
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
3-ethoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119443526
N-methyl-N-piperidin-3-yl-3-propan-2-yloxybenzamide
CID 62920144
3-(2-methoxyethoxy)-N-methyl-N-piperidin-4-ylbenzamide
CID 119441131
3,5-dimethoxy-N-methyl-N-piperidin-3-ylbenzamide
CID 60807213
1-N,3-N-dimethyl-1-N-phenyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119552240
2,5-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551921
3-(3-methoxypropoxy)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119441938
N-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119553161

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide (CID 60806673) is 3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide is COc1cccc(C(=O)N(C)C2CCNC2)c1.
What is the InChIKey of 3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is WINJPKJXKDQKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(11-6-7-14-9-11)13(16)10-4-3-5-12(8-10)17-2/h3-5,8,11,14H,6-7,9H2,1-2H3.
What are the key properties of 3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide?
3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 234.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 60806673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).