4-tert-butyl-N-(1,2,3,4-tetrahydropyridin-5-yl)benzamide

C16H22N2O — CID 141047847

IUPAC4-tert-butyl-N-(1,2,3,4-tetrahydropyridin-5-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2=CNCCC2)cc1
InChIInChI=1S/C16H22N2O/c1-16(2,3)13-8-6-12(7-9-13)15(19)18-14-5-4-10-17-11-14/h6-9,11,17H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyBQDNBFLFBDZHOQ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.94
Rot. Bonds2

About 4-tert-butyl-N-(1,2,3,4-tetrahydropyridin-5-yl)benzamide

4-tert-butyl-N-(1,2,3,4-tetrahydropyridin-5-yl)benzamide (PubChem CID 141047847) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-tert-butyl-N-(1,2,3,4-tetrahydropyridin-5-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1,2,3,4-tetrahydropyridin-5-yl)benzamide
PubChem CID141047847
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-tert-butyl-N-(1,2,3,4-tetrahydropyridin-5-yl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NC2=CNCCC2)cc1
InChIInChI=1S/C16H22N2O/c1-16(2,3)13-8-6-12(7-9-13)15(19)18-14-5-4-10-17-11-14/h6-9,11,17H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyBQDNBFLFBDZHOQ-UHFFFAOYSA-N
XLogP2.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1,2,3,4-tetrahydropyridin-5-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(1,2,3,4-tetrahydropyridin-5-yl)benzamide (CID 141047847) is 4-tert-butyl-N-(1,2,3,4-tetrahydropyridin-5-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(1,2,3,4-tetrahydropyridin-5-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(1,2,3,4-tetrahydropyridin-5-yl)benzamide is CC(C)(C)c1ccc(C(=O)NC2=CNCCC2)cc1.
What is the InChIKey of 4-tert-butyl-N-(1,2,3,4-tetrahydropyridin-5-yl)benzamide?
The InChIKey is BQDNBFLFBDZHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-16(2,3)13-8-6-12(7-9-13)15(19)18-14-5-4-10-17-11-14/h6-9,11,17H,4-5,10H2,1-3H3,(H,18,19).
What are the key properties of 4-tert-butyl-N-(1,2,3,4-tetrahydropyridin-5-yl)benzamide?
4-tert-butyl-N-(1,2,3,4-tetrahydropyridin-5-yl)benzamide has a molecular weight of 258.37 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1,2,3,4-tetrahydropyridin-5-yl)benzamide is sourced from PubChem (CID 141047847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).