N-(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-N',2,2,4,4-pentamethylpentanediamide

C22H36N2O2 — CID 163261238

IUPACN-(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-N',2,2,4,4-pentamethylpentanediamide
SMILESCNC(=O)C(C)(C)CC(C)(C)C(=O)NC1=CC=CC(C)(C(C)(C)C)C=C1
InChIInChI=1S/C22H36N2O2/c1-19(2,3)22(8)13-10-11-16(12-14-22)24-18(26)21(6,7)15-20(4,5)17(25)23-9/h10-14H,15H2,1-9H3,(H,23,25)(H,24,26)
InChIKeyIJVUIXBVGDIQDF-UHFFFAOYSA-N
MW360.54 g/mol
LogP4.35
Rot. Bonds5

About N-(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-N',2,2,4,4-pentamethylpentanediamide

N-(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-N',2,2,4,4-pentamethylpentanediamide (PubChem CID 163261238) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is N-(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-N',2,2,4,4-pentamethylpentanediamide.

Molecular Properties

Compound NameN-(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-N',2,2,4,4-pentamethylpentanediamide
PubChem CID163261238
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC NameN-(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-N',2,2,4,4-pentamethylpentanediamide
SMILESCNC(=O)C(C)(C)CC(C)(C)C(=O)NC1=CC=CC(C)(C(C)(C)C)C=C1
InChIInChI=1S/C22H36N2O2/c1-19(2,3)22(8)13-10-11-16(12-14-22)24-18(26)21(6,7)15-20(4,5)17(25)23-9/h10-14H,15H2,1-9H3,(H,23,25)(H,24,26)
InChIKeyIJVUIXBVGDIQDF-UHFFFAOYSA-N
XLogP4.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-N',2,2,4,4-pentamethylpentanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-N',2,2,4,4-pentamethylpentanediamide?
The IUPAC name of N-(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-N',2,2,4,4-pentamethylpentanediamide (CID 163261238) is N-(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-N',2,2,4,4-pentamethylpentanediamide.
What is the SMILES notation for N-(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-N',2,2,4,4-pentamethylpentanediamide?
The canonical SMILES for N-(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-N',2,2,4,4-pentamethylpentanediamide is CNC(=O)C(C)(C)CC(C)(C)C(=O)NC1=CC=CC(C)(C(C)(C)C)C=C1.
What is the InChIKey of N-(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-N',2,2,4,4-pentamethylpentanediamide?
The InChIKey is IJVUIXBVGDIQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-19(2,3)22(8)13-10-11-16(12-14-22)24-18(26)21(6,7)15-20(4,5)17(25)23-9/h10-14H,15H2,1-9H3,(H,23,25)(H,24,26).
What are the key properties of N-(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-N',2,2,4,4-pentamethylpentanediamide?
N-(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-N',2,2,4,4-pentamethylpentanediamide has a molecular weight of 360.54 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-5-methylcyclohepta-1,3,6-trien-1-yl)-N',2,2,4,4-pentamethylpentanediamide is sourced from PubChem (CID 163261238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).