2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide

C14H20N2O2 — CID 47416436

IUPAC2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCOc1ccccc1C(=O)NCC1CCCN1C
InChIInChI=1S/C14H20N2O2/c1-16-9-5-6-11(16)10-15-14(17)12-7-3-4-8-13(12)18-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,15,17)
InChIKeyAIIDZZQYRXQQOH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.52
Rot. Bonds4

About 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide

2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide (PubChem CID 47416436) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
PubChem CID47416436
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
SMILESCOc1ccccc1C(=O)NCC1CCCN1C
InChIInChI=1S/C14H20N2O2/c1-16-9-5-6-11(16)10-15-14(17)12-7-3-4-8-13(12)18-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,15,17)
InChIKeyAIIDZZQYRXQQOH-UHFFFAOYSA-N
XLogP1.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 23390396
N-[(1-benzylpiperidin-2-yl)methyl]-2-methoxybenzamide
CID 47082197
2-methoxy-N-[[(1R,3R)-3-[[(2-methoxybenzoyl)amino]methyl]cyclohexyl]methyl]benzamide
CID 7649857
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83950521
2-amino-6-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 81420315
2-amino-3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 114137909
4-(2-methoxyphenyl)-N'-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperazine-1-carboximidamide
CID 111132847
N-[(3-bromocyclopentyl)methyl]-2-methoxybenzamide
CID 106128171
2-bromo-5-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 113259158
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-hydroxy-3-methoxybenzamide
CID 63898434
2-(2-hydroxy-3,3-dimethylbutyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide
CID 146375083
2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99970994

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The IUPAC name of 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide (CID 47416436) is 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide is COc1ccccc1C(=O)NCC1CCCN1C.
What is the InChIKey of 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
The InChIKey is AIIDZZQYRXQQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-16-9-5-6-11(16)10-15-14(17)12-7-3-4-8-13(12)18-2/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,15,17).
What are the key properties of 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide?
2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide is sourced from PubChem (CID 47416436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).