3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide

C13H18N2O2 — CID 113457504

IUPAC3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide
SMILESCOc1cccc(C(=O)NC2CNCC2C)c1
InChIInChI=1S/C13H18N2O2/c1-9-7-14-8-12(9)15-13(16)10-4-3-5-11(6-10)17-2/h3-6,9,12,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyJCYPMAVHFOVNHS-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.03
Rot. Bonds3

About 3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide

3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide (PubChem CID 113457504) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide
PubChem CID113457504
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide
SMILESCOc1cccc(C(=O)NC2CNCC2C)c1
InChIInChI=1S/C13H18N2O2/c1-9-7-14-8-12(9)15-13(16)10-4-3-5-11(6-10)17-2/h3-6,9,12,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyJCYPMAVHFOVNHS-UHFFFAOYSA-N
XLogP1.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-bromocyclopentyl)-3-methoxybenzamide
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N-(2-tert-butylcyclohexyl)-3-methoxybenzamide
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phenyl N-(4-methylpyrrolidin-3-yl)carbamate
CID 104826348
(2,6-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63911962
2-fluoro-6-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide
CID 104826149
3-fluoro-4-methyl-N-(4-methylpyrrolidin-3-yl)benzamide
CID 104826148
3-methoxy-N-(6-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzamide
CID 82585016
3-methoxy-N-(2-thiophen-2-ylcyclopropyl)benzamide
CID 110711234
methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate
CID 115617221

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide?
The IUPAC name of 3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide (CID 113457504) is 3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide is COc1cccc(C(=O)NC2CNCC2C)c1.
What is the InChIKey of 3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide?
The InChIKey is JCYPMAVHFOVNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-7-14-8-12(9)15-13(16)10-4-3-5-11(6-10)17-2/h3-6,9,12,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide?
3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-methylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 113457504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).