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

C30H48N2O4 — CID 102184548

IUPAC8-tricyclo[5.2.1.02,6]decanylmethyl N-[6-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)hexyl]carbamate
SMILESO=C(NCCCCCCNC(=O)OCC1CC2CC1C1CCCC21)OCC1CC2CC1C1CCCC21
InChIInChI=1S/C30H48N2O4/c33-29(35-17-21-13-19-15-27(21)25-9-5-7-23(19)25)31-11-3-1-2-4-12-32-30(34)36-18-22-14-20-16-28(22)26-10-6-8-24(20)26/h19-28H,1-18H2,(H,31,33)(H,32,34)
InChIKeyJSFCQFBBEKEIOB-UHFFFAOYSA-N
MW500.72 g/mol
LogP6.14
Rot. Bonds11

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

8-tricyclo[5.2.1.02,6]decanylmethyl N-[6-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)hexyl]carbamate (PubChem CID 102184548) has the molecular formula C30H48N2O4 and a molecular weight of 500.72 g/mol. Its IUPAC name is 8-tricyclo[5.2.1.02,6]decanylmethyl N-[6-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)hexyl]carbamate.

Molecular Properties

Compound Name8-tricyclo[5.2.1.02,6]decanylmethyl N-[6-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)hexyl]carbamate
PubChem CID102184548
Molecular FormulaC30H48N2O4
Molecular Weight500.72 g/mol
Exact Mass500.36
IUPAC Name8-tricyclo[5.2.1.02,6]decanylmethyl N-[6-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)hexyl]carbamate
SMILESO=C(NCCCCCCNC(=O)OCC1CC2CC1C1CCCC21)OCC1CC2CC1C1CCCC21
InChIInChI=1S/C30H48N2O4/c33-29(35-17-21-13-19-15-27(21)25-9-5-7-23(19)25)31-11-3-1-2-4-12-32-30(34)36-18-22-14-20-16-28(22)26-10-6-8-24(20)26/h19-28H,1-18H2,(H,31,33)(H,32,34)
InChIKeyJSFCQFBBEKEIOB-UHFFFAOYSA-N
XLogP6.14
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.72
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-tricyclo[5.2.1.02,6]decanylmethyl N-[6-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)hexyl]carbamate?
The IUPAC name of 8-tricyclo[5.2.1.02,6]decanylmethyl N-[6-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)hexyl]carbamate (CID 102184548) is 8-tricyclo[5.2.1.02,6]decanylmethyl N-[6-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)hexyl]carbamate.
What is the SMILES notation for 8-tricyclo[5.2.1.02,6]decanylmethyl N-[6-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)hexyl]carbamate?
The canonical SMILES for 8-tricyclo[5.2.1.02,6]decanylmethyl N-[6-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)hexyl]carbamate is O=C(NCCCCCCNC(=O)OCC1CC2CC1C1CCCC21)OCC1CC2CC1C1CCCC21.
What is the InChIKey of 8-tricyclo[5.2.1.02,6]decanylmethyl N-[6-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)hexyl]carbamate?
The InChIKey is JSFCQFBBEKEIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H48N2O4/c33-29(35-17-21-13-19-15-27(21)25-9-5-7-23(19)25)31-11-3-1-2-4-12-32-30(34)36-18-22-14-20-16-28(22)26-10-6-8-24(20)26/h19-28H,1-18H2,(H,31,33)(H,32,34).
What are the key properties of 8-tricyclo[5.2.1.02,6]decanylmethyl N-[6-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)hexyl]carbamate?
8-tricyclo[5.2.1.02,6]decanylmethyl N-[6-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)hexyl]carbamate has a molecular weight of 500.72 g/mol, XLogP of 6.14, 11 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-[6-(8-tricyclo[5.2.1.02,6]decanylmethoxycarbonylamino)hexyl]carbamate is sourced from PubChem (CID 102184548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).