N-[[5-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

C26H42N2O2 — CID 587720

IUPACN-[[5-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1(C)CC(NC(=O)C2CC3CCC2C3)CC(C)(CNC(=O)C2CC3CCC2C3)C1
InChIInChI=1S/C26H42N2O2/c1-25(2)12-20(28-24(30)22-11-17-5-7-19(22)9-17)13-26(3,14-25)15-27-23(29)21-10-16-4-6-18(21)8-16/h16-22H,4-15H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyBCUCJWQATQBQSA-UHFFFAOYSA-N
MW414.63 g/mol
LogP4.68
Rot. Bonds5

About N-[[5-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[[5-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 587720) has the molecular formula C26H42N2O2 and a molecular weight of 414.63 g/mol. Its IUPAC name is N-[[5-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID587720
Molecular FormulaC26H42N2O2
Molecular Weight414.63 g/mol
Exact Mass414.32
IUPAC NameN-[[5-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC1(C)CC(NC(=O)C2CC3CCC2C3)CC(C)(CNC(=O)C2CC3CCC2C3)C1
InChIInChI=1S/C26H42N2O2/c1-25(2)12-20(28-24(30)22-11-17-5-7-19(22)9-17)13-26(3,14-25)15-27-23(29)21-10-16-4-6-18(21)8-16/h16-22H,4-15H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyBCUCJWQATQBQSA-UHFFFAOYSA-N
XLogP4.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.63
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[5-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

N,N'-ethane-1,2-diylbisbicyclo[2.2.1]heptane-2-carboxamide
CID 2932661
N-(8-pentacyclo[6.4.0.02,10.03,7.04,9]dodecanylmethyl)cyclohexanecarboxamide
CID 145959655
N-[3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 16557386
adamantanyl-N-(bicyclo[2.2.1]hept-2-ylethyl)carboxamide
CID 2830237
N~1~-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)-N~6~-(2,7,7-trimethylbicyclo[2.2.1]hept-1-yl)hexanediamide
CID 3092151
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 4100261
2-(1-adamantyl)-N~1~,N~3~-bis(1-bicyclo[2.2.1]hept-2-ylethyl)malonamide
CID 2802742
N-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)-1-methylcyclohexane-1-carboxamide
CID 2885013
N,N'-(2,2-dimethylpropane-1,3-diyl)bisbicyclo[2.2.1]heptane-2-carboxamide
CID 3110025
1-N,4-N-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 4386166
2-(1-adamantyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]acetamide
CID 45840124
N-[4-(bicyclo[2.2.1]heptane-2-carbonylamino)cyclohexyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4622224

Frequently Asked Questions

What is the IUPAC name of N-[[5-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[[5-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 587720) is N-[[5-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[[5-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[[5-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is CC1(C)CC(NC(=O)C2CC3CCC2C3)CC(C)(CNC(=O)C2CC3CCC2C3)C1.
What is the InChIKey of N-[[5-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is BCUCJWQATQBQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2O2/c1-25(2)12-20(28-24(30)22-11-17-5-7-19(22)9-17)13-26(3,14-25)15-27-23(29)21-10-16-4-6-18(21)8-16/h16-22H,4-15H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of N-[[5-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[[5-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 414.63 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(bicyclo[2.2.1]heptane-2-carbonylamino)-1,3,3-trimethylcyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 587720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).