8-tricyclo[5.2.1.02,6]decanylmethyl N-[1,3,3-trimethyl-4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate

C33H52N2O4 — CID 102184547

About 8-tricyclo[5.2.1.02,6]decanylmethyl N-[1,3,3-trimethyl-4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate

8-tricyclo[5.2.1.02,6]decanylmethyl N-[1,3,3-trimethyl-4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate (PubChem CID 102184547) has the molecular formula C33H52N2O4 and a molecular weight of 540.79 g/mol. Its IUPAC name is 8-tricyclo[5.2.1.02,6]decanylmethyl N-[1,3,3-trimethyl-4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate.

Molecular Properties

• Compound Name: 8-tricyclo[5.2.1.02,6]decanylmethyl N-[1,3,3-trimethyl-4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate
• PubChem CID: 102184547
• Molecular Formula: C33H52N2O4
• Molecular Weight: 540.79 g/mol
• Exact Mass: 540.39
• IUPAC Name: 8-tricyclo[5.2.1.02,6]decanylmethyl N-[1,3,3-trimethyl-4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate
• SMILES: CC1(NC(=O)OCC2CC3CC2C2CCCC32)CCC(NC(=O)OCC2CC3CC2C2CCCC32)C(C)(C)C1
• InChI: InChI=1S/C33H52N2O4/c1-32(2)18-33(3,35-31(37)39-17-22-13-20-15-28(22)26-9-5-7-24(20)26)11-10-29(32)34-30(36)38-16-21-12-19-14-27(21)25-8-4-6-23(19)25/h19-29H,4-18H2,1-3H3,(H,34,36)(H,35,37)
• InChIKey: MYSJHPHOILFIHZ-UHFFFAOYSA-N
• XLogP: 6.92
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.79
LogP ≤ 5	6.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-tricyclo[5.2.1.02,6]decanylmethyl N-[1,3,3-trimethyl-4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate?

The IUPAC name of 8-tricyclo[5.2.1.02,6]decanylmethyl N-[1,3,3-trimethyl-4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate (CID 102184547) is 8-tricyclo[5.2.1.02,6]decanylmethyl N-[1,3,3-trimethyl-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-[1,3,3-trimethyl-4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate?

The canonical SMILES for 8-tricyclo[5.2.1.02,6]decanylmethyl N-[1,3,3-trimethyl-4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate is CC1(NC(=O)OCC2CC3CC2C2CCCC32)CCC(NC(=O)OCC2CC3CC2C2CCCC32)C(C)(C)C1.

What is the InChIKey of 8-tricyclo[5.2.1.02,6]decanylmethyl N-[1,3,3-trimethyl-4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate?

The InChIKey is MYSJHPHOILFIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H52N2O4/c1-32(2)18-33(3,35-31(37)39-17-22-13-20-15-28(22)26-9-5-7-24(20)26)11-10-29(32)34-30(36)38-16-21-12-19-14-27(21)25-8-4-6-23(19)25/h19-29H,4-18H2,1-3H3,(H,34,36)(H,35,37).

What are the key properties of 8-tricyclo[5.2.1.02,6]decanylmethyl N-[1,3,3-trimethyl-4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate?

8-tricyclo[5.2.1.02,6]decanylmethyl N-[1,3,3-trimethyl-4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate has a molecular weight of 540.79 g/mol, XLogP of 6.92, 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-[1,3,3-trimethyl-4-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)cyclohexyl]carbamate is sourced from PubChem (CID 102184547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).