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

C16H22N2O — CID 107486641

IUPAC3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCCC2=CCNCC2)c1
InChIInChI=1S/C16H22N2O/c1-12-9-13(2)11-15(10-12)16(19)18-8-5-14-3-6-17-7-4-14/h3,9-11,17H,4-8H2,1-2H3,(H,18,19)
InChIKeyNTLXIVGQIBMWQD-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.34
Rot. Bonds4

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

3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide (PubChem CID 107486641) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
PubChem CID107486641
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCCC2=CCNCC2)c1
InChIInChI=1S/C16H22N2O/c1-12-9-13(2)11-15(10-12)16(19)18-8-5-14-3-6-17-7-4-14/h3,9-11,17H,4-8H2,1-2H3,(H,18,19)
InChIKeyNTLXIVGQIBMWQD-UHFFFAOYSA-N
XLogP2.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide (CID 107486641) is 3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide is Cc1cc(C)cc(C(=O)NCCC2=CCNCC2)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide?
The InChIKey is NTLXIVGQIBMWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-9-13(2)11-15(10-12)16(19)18-8-5-14-3-6-17-7-4-14/h3,9-11,17H,4-8H2,1-2H3,(H,18,19).
What are the key properties of 3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide?
3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide has a molecular weight of 258.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide is sourced from PubChem (CID 107486641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).