N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2,2-dimethylpropyl]bicyclo[2.2.1]heptane-2-carboxamide

C21H34N2O2 — CID 3110025

IUPACN-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2,2-dimethylpropyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)(CNC(=O)C1CC2CCC1C2)CNC(=O)C1CC2CCC1C2
InChIInChI=1S/C21H34N2O2/c1-21(2,11-22-19(24)17-9-13-3-5-15(17)7-13)12-23-20(25)18-10-14-4-6-16(18)8-14/h13-18H,3-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyWKNNUJATTAYOCU-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.12
Rot. Bonds6

About N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2,2-dimethylpropyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2,2-dimethylpropyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 3110025) has the molecular formula C21H34N2O2 and a molecular weight of 346.52 g/mol. Its IUPAC name is N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2,2-dimethylpropyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2,2-dimethylpropyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID3110025
Molecular FormulaC21H34N2O2
Molecular Weight346.52 g/mol
Exact Mass346.26
IUPAC NameN-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2,2-dimethylpropyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)(CNC(=O)C1CC2CCC1C2)CNC(=O)C1CC2CCC1C2
InChIInChI=1S/C21H34N2O2/c1-21(2,11-22-19(24)17-9-13-3-5-15(17)7-13)12-23-20(25)18-10-14-4-6-16(18)8-14/h13-18H,3-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyWKNNUJATTAYOCU-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2,2-dimethylpropyl]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~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-[3-(diethylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 3063899
N,N'-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 4100261
2-N,3-N-dibutylbicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 428723
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
1-N,4-N-bis[1-(2-bicyclo[2.2.1]heptanyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 4386166
N-[1-(bicyclo[2.2.1]hept-2-yl)ethyl]-3-cyclohexylpropanamide
CID 4460800
Bicyclo[2.2.1]heptane-2-carboxamide, N-[3-(bicyclo[2.2.1]heptan-2-ylcarbonylamino)-1,5,5-trimethylcyclohexylmethyl]-
CID 587720
n-Octylbicyclo[2.2.1]heptane-2-carboxamide
CID 603656

Frequently Asked Questions

What is the IUPAC name of N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2,2-dimethylpropyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2,2-dimethylpropyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 3110025) is N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2,2-dimethylpropyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2,2-dimethylpropyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2,2-dimethylpropyl]bicyclo[2.2.1]heptane-2-carboxamide is CC(C)(CNC(=O)C1CC2CCC1C2)CNC(=O)C1CC2CCC1C2.
What is the InChIKey of N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2,2-dimethylpropyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is WKNNUJATTAYOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c1-21(2,11-22-19(24)17-9-13-3-5-15(17)7-13)12-23-20(25)18-10-14-4-6-16(18)8-14/h13-18H,3-12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2,2-dimethylpropyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2,2-dimethylpropyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 346.52 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)-2,2-dimethylpropyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 3110025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).