2-methoxy-5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide

C16H22N2O2 — CID 107487552

IUPAC2-methoxy-5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
SMILESCOc1ccc(C)cc1C(=O)NCCC1=CCNCC1
InChIInChI=1S/C16H22N2O2/c1-12-3-4-15(20-2)14(11-12)16(19)18-10-7-13-5-8-17-9-6-13/h3-5,11,17H,6-10H2,1-2H3,(H,18,19)
InChIKeyAKQZOSOPTQFSKE-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.04
Rot. Bonds5

About 2-methoxy-5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide

2-methoxy-5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide (PubChem CID 107487552) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
PubChem CID107487552
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-methoxy-5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
SMILESCOc1ccc(C)cc1C(=O)NCCC1=CCNCC1
InChIInChI=1S/C16H22N2O2/c1-12-3-4-15(20-2)14(11-12)16(19)18-10-7-13-5-8-17-9-6-13/h3-5,11,17H,6-10H2,1-2H3,(H,18,19)
InChIKeyAKQZOSOPTQFSKE-UHFFFAOYSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486788
2,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487494
2-bromo-4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487324
3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486641
N-[(3-hydroxyazetidin-3-yl)methyl]-2-methoxy-5-methylbenzamide
CID 114189599
4-bromo-2-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487134
2,4-dichloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487012
5-chloro-2-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486985
N-[2-(cyclohexen-1-yl)ethyl]-2,4,5-trimethoxybenzamide
CID 838037
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110761060
3-methyl-2-nitro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487487
N-[2-(cyclohexen-1-yl)ethyl]-2-methoxy-5-sulfamoylbenzamide
CID 25469750

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide?
The IUPAC name of 2-methoxy-5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide (CID 107487552) is 2-methoxy-5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide is COc1ccc(C)cc1C(=O)NCCC1=CCNCC1.
What is the InChIKey of 2-methoxy-5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide?
The InChIKey is AKQZOSOPTQFSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-3-4-15(20-2)14(11-12)16(19)18-10-7-13-5-8-17-9-6-13/h3-5,11,17H,6-10H2,1-2H3,(H,18,19).
What are the key properties of 2-methoxy-5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide?
2-methoxy-5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide has a molecular weight of 274.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide is sourced from PubChem (CID 107487552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).