N-(5-hydroxy-8-tetracyclo[3.3.1.11,3.02,7]decanyl)-N-methyl-3-(2-pyridin-2-ylethoxy)benzamide

C25H28N2O3 — CID 130451110

IUPACN-(5-hydroxy-8-tetracyclo[3.3.1.11,3.02,7]decanyl)-N-methyl-3-(2-pyridin-2-ylethoxy)benzamide
SMILESCN(C(=O)c1cccc(OCCc2ccccn2)c1)C1C2CC3(O)CC4CC1(C3)C42
InChIInChI=1S/C25H28N2O3/c1-27(22-20-14-24(29)12-17-13-25(22,15-24)21(17)20)23(28)16-5-4-7-19(11-16)30-10-8-18-6-2-3-9-26-18/h2-7,9,11,17,20-22,29H,8,10,12-15H2,1H3
InChIKeyYJVOGEIUGHPVMY-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.32
Rot. Bonds6

About N-(5-hydroxy-8-tetracyclo[3.3.1.11,3.02,7]decanyl)-N-methyl-3-(2-pyridin-2-ylethoxy)benzamide

N-(5-hydroxy-8-tetracyclo[3.3.1.11,3.02,7]decanyl)-N-methyl-3-(2-pyridin-2-ylethoxy)benzamide (PubChem CID 130451110) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(5-hydroxy-8-tetracyclo[3.3.1.11,3.02,7]decanyl)-N-methyl-3-(2-pyridin-2-ylethoxy)benzamide.

Molecular Properties

Compound NameN-(5-hydroxy-8-tetracyclo[3.3.1.11,3.02,7]decanyl)-N-methyl-3-(2-pyridin-2-ylethoxy)benzamide
PubChem CID130451110
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-(5-hydroxy-8-tetracyclo[3.3.1.11,3.02,7]decanyl)-N-methyl-3-(2-pyridin-2-ylethoxy)benzamide
SMILESCN(C(=O)c1cccc(OCCc2ccccn2)c1)C1C2CC3(O)CC4CC1(C3)C42
InChIInChI=1S/C25H28N2O3/c1-27(22-20-14-24(29)12-17-13-25(22,15-24)21(17)20)23(28)16-5-4-7-19(11-16)30-10-8-18-6-2-3-9-26-18/h2-7,9,11,17,20-22,29H,8,10,12-15H2,1H3
InChIKeyYJVOGEIUGHPVMY-UHFFFAOYSA-N
XLogP3.32
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(1R)-1-[3-(2-pyridin-2-ylethoxy)phenyl]ethanol
CID 78934011
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3-(methylamino)-6-(2-pyridin-2-ylethoxy)-1,3-dihydroindol-2-one
CID 63369636
N-methyl-N-(1-methylpiperidin-4-yl)-3-pyridin-2-yloxybenzamide
CID 90596724

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-8-tetracyclo[3.3.1.11,3.02,7]decanyl)-N-methyl-3-(2-pyridin-2-ylethoxy)benzamide?
The IUPAC name of N-(5-hydroxy-8-tetracyclo[3.3.1.11,3.02,7]decanyl)-N-methyl-3-(2-pyridin-2-ylethoxy)benzamide (CID 130451110) is N-(5-hydroxy-8-tetracyclo[3.3.1.11,3.02,7]decanyl)-N-methyl-3-(2-pyridin-2-ylethoxy)benzamide.
What is the SMILES notation for N-(5-hydroxy-8-tetracyclo[3.3.1.11,3.02,7]decanyl)-N-methyl-3-(2-pyridin-2-ylethoxy)benzamide?
The canonical SMILES for N-(5-hydroxy-8-tetracyclo[3.3.1.11,3.02,7]decanyl)-N-methyl-3-(2-pyridin-2-ylethoxy)benzamide is CN(C(=O)c1cccc(OCCc2ccccn2)c1)C1C2CC3(O)CC4CC1(C3)C42.
What is the InChIKey of N-(5-hydroxy-8-tetracyclo[3.3.1.11,3.02,7]decanyl)-N-methyl-3-(2-pyridin-2-ylethoxy)benzamide?
The InChIKey is YJVOGEIUGHPVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-27(22-20-14-24(29)12-17-13-25(22,15-24)21(17)20)23(28)16-5-4-7-19(11-16)30-10-8-18-6-2-3-9-26-18/h2-7,9,11,17,20-22,29H,8,10,12-15H2,1H3.
What are the key properties of N-(5-hydroxy-8-tetracyclo[3.3.1.11,3.02,7]decanyl)-N-methyl-3-(2-pyridin-2-ylethoxy)benzamide?
N-(5-hydroxy-8-tetracyclo[3.3.1.11,3.02,7]decanyl)-N-methyl-3-(2-pyridin-2-ylethoxy)benzamide has a molecular weight of 404.51 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-8-tetracyclo[3.3.1.11,3.02,7]decanyl)-N-methyl-3-(2-pyridin-2-ylethoxy)benzamide is sourced from PubChem (CID 130451110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).