8-tricyclo[5.2.1.02,6]decanylmethyl N-[4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate

C30H46N2O4 — CID 102184546

IUPAC8-tricyclo[5.2.1.02,6]decanylmethyl N-[4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate
SMILESO=C(NC1CCC(NC(=O)OCC2CC3CC2C2CCCC32)CC1)OCC1CC2CC1C1CCCC21
InChIInChI=1S/C30H46N2O4/c33-29(35-15-19-11-17-13-27(19)25-5-1-3-23(17)25)31-21-7-9-22(10-8-21)32-30(34)36-16-20-12-18-14-28(20)26-6-2-4-24(18)26/h17-28H,1-16H2,(H,31,33)(H,32,34)
InChIKeyXLCSHAORRLKOMI-UHFFFAOYSA-N
MW498.71 g/mol
LogP5.89
Rot. Bonds6

About 8-tricyclo[5.2.1.02,6]decanylmethyl N-[4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate

8-tricyclo[5.2.1.02,6]decanylmethyl N-[4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate (PubChem CID 102184546) has the molecular formula C30H46N2O4 and a molecular weight of 498.71 g/mol. Its IUPAC name is 8-tricyclo[5.2.1.02,6]decanylmethyl N-[4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Name8-tricyclo[5.2.1.02,6]decanylmethyl N-[4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate
PubChem CID102184546
Molecular FormulaC30H46N2O4
Molecular Weight498.71 g/mol
Exact Mass498.35
IUPAC Name8-tricyclo[5.2.1.02,6]decanylmethyl N-[4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate
SMILESO=C(NC1CCC(NC(=O)OCC2CC3CC2C2CCCC32)CC1)OCC1CC2CC1C1CCCC21
InChIInChI=1S/C30H46N2O4/c33-29(35-15-19-11-17-13-27(19)25-5-1-3-23(17)25)31-21-7-9-22(10-8-21)32-30(34)36-16-20-12-18-14-28(20)26-6-2-4-24(18)26/h17-28H,1-16H2,(H,31,33)(H,32,34)
InChIKeyXLCSHAORRLKOMI-UHFFFAOYSA-N
XLogP5.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.71
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-tricyclo[5.2.1.02,6]decanylmethyl N-[4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate 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 8-tricyclo[5.2.1.02,6]decanylmethyl N-[4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate?
The IUPAC name of 8-tricyclo[5.2.1.02,6]decanylmethyl N-[4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate (CID 102184546) is 8-tricyclo[5.2.1.02,6]decanylmethyl N-[4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate.
What is the SMILES notation for 8-tricyclo[5.2.1.02,6]decanylmethyl N-[4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate?
The canonical SMILES for 8-tricyclo[5.2.1.02,6]decanylmethyl N-[4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate is O=C(NC1CCC(NC(=O)OCC2CC3CC2C2CCCC32)CC1)OCC1CC2CC1C1CCCC21.
What is the InChIKey of 8-tricyclo[5.2.1.02,6]decanylmethyl N-[4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate?
The InChIKey is XLCSHAORRLKOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46N2O4/c33-29(35-15-19-11-17-13-27(19)25-5-1-3-23(17)25)31-21-7-9-22(10-8-21)32-30(34)36-16-20-12-18-14-28(20)26-6-2-4-24(18)26/h17-28H,1-16H2,(H,31,33)(H,32,34).
What are the key properties of 8-tricyclo[5.2.1.02,6]decanylmethyl N-[4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate?
8-tricyclo[5.2.1.02,6]decanylmethyl N-[4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate has a molecular weight of 498.71 g/mol, XLogP of 5.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tricyclo[5.2.1.02,6]decanylmethyl N-[4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate is sourced from PubChem (CID 102184546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).