tert-butyl N-[[4-[8-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]cyclohexyl]methyl]-N-methylcarbamate

C30H43ClN2O3 — CID 157425147

About tert-butyl N-[[4-[8-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]cyclohexyl]methyl]-N-methylcarbamate

tert-butyl N-[[4-[8-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]cyclohexyl]methyl]-N-methylcarbamate (PubChem CID 157425147) has the molecular formula C30H43ClN2O3 and a molecular weight of 515.14 g/mol. Its IUPAC name is tert-butyl N-[[4-[8-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]cyclohexyl]methyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[4-[8-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]cyclohexyl]methyl]-N-methylcarbamate
• PubChem CID: 157425147
• Molecular Formula: C30H43ClN2O3
• Molecular Weight: 515.14 g/mol
• Exact Mass: 514.30
• IUPAC Name: tert-butyl N-[[4-[8-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]cyclohexyl]methyl]-N-methylcarbamate
• SMILES: CC(C)CC1C2=C(CCN1C(=O)C1CCC(CN(C)C(=O)OC(C)(C)C)CC1)c1cccc(Cl)c1C2
• InChI: InChI=1S/C30H43ClN2O3/c1-19(2)16-27-25-17-24-22(8-7-9-26(24)31)23(25)14-15-33(27)28(34)21-12-10-20(11-13-21)18-32(6)29(35)36-30(3,4)5/h7-9,19-21,27H,10-18H2,1-6H3
• InChIKey: LDRBLDWRBSKPSS-UHFFFAOYSA-N
• XLogP: 6.97
• TPSA: 49.85 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.14
LogP ≤ 5	6.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[8-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]cyclohexyl]methyl]-N-methylcarbamate?

The IUPAC name of tert-butyl N-[[4-[8-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]cyclohexyl]methyl]-N-methylcarbamate (CID 157425147) is tert-butyl N-[[4-[8-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]cyclohexyl]methyl]-N-methylcarbamate.

What is the SMILES notation for tert-butyl N-[[4-[8-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]cyclohexyl]methyl]-N-methylcarbamate?

The canonical SMILES for tert-butyl N-[[4-[8-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]cyclohexyl]methyl]-N-methylcarbamate is CC(C)CC1C2=C(CCN1C(=O)C1CCC(CN(C)C(=O)OC(C)(C)C)CC1)c1cccc(Cl)c1C2.

What is the InChIKey of tert-butyl N-[[4-[8-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]cyclohexyl]methyl]-N-methylcarbamate?

The InChIKey is LDRBLDWRBSKPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43ClN2O3/c1-19(2)16-27-25-17-24-22(8-7-9-26(24)31)23(25)14-15-33(27)28(34)21-12-10-20(11-13-21)18-32(6)29(35)36-30(3,4)5/h7-9,19-21,27H,10-18H2,1-6H3.

What are the key properties of tert-butyl N-[[4-[8-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]cyclohexyl]methyl]-N-methylcarbamate?

tert-butyl N-[[4-[8-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]cyclohexyl]methyl]-N-methylcarbamate has a molecular weight of 515.14 g/mol, XLogP of 6.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[4-[8-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]cyclohexyl]methyl]-N-methylcarbamate is sourced from PubChem (CID 157425147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).