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

C16H22N2O3 — CID 107486788

IUPAC2,5-dimethoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)NCCC2=CCNCC2)c1
InChIInChI=1S/C16H22N2O3/c1-20-13-3-4-15(21-2)14(11-13)16(19)18-10-7-12-5-8-17-9-6-12/h3-5,11,17H,6-10H2,1-2H3,(H,18,19)
InChIKeyFKCJMRZCGMSCEB-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.74
Rot. Bonds6

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

2,5-dimethoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide (PubChem CID 107486788) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
PubChem CID107486788
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2,5-dimethoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)NCCC2=CCNCC2)c1
InChIInChI=1S/C16H22N2O3/c1-20-13-3-4-15(21-2)14(11-13)16(19)18-10-7-12-5-8-17-9-6-12/h3-5,11,17H,6-10H2,1-2H3,(H,18,19)
InChIKeyFKCJMRZCGMSCEB-UHFFFAOYSA-N
XLogP1.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487552
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
2-bromo-4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487324
N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-methoxybenzamide
CID 103842410
2,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535388
N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 164627851
N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843793
2,5-dimethoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64531620
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
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide?
The IUPAC name of 2,5-dimethoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide (CID 107486788) is 2,5-dimethoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide.
What is the SMILES notation for 2,5-dimethoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide?
The canonical SMILES for 2,5-dimethoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide is COc1ccc(OC)c(C(=O)NCCC2=CCNCC2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide?
The InChIKey is FKCJMRZCGMSCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-20-13-3-4-15(21-2)14(11-13)16(19)18-10-7-12-5-8-17-9-6-12/h3-5,11,17H,6-10H2,1-2H3,(H,18,19).
What are the key properties of 2,5-dimethoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide?
2,5-dimethoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide has a molecular weight of 290.36 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide is sourced from PubChem (CID 107486788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).