tert-butyl N-[[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]phenyl]methyl]carbamate;tert-butyl N-[4-[3-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-3-oxopropyl]cyclohexyl]carbamate

C59H80N4O6 — CID 158131134

About tert-butyl N-[[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]phenyl]methyl]carbamate;tert-butyl N-[4-[3-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-3-oxopropyl]cyclohexyl]carbamate

tert-butyl N-[[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]phenyl]methyl]carbamate;tert-butyl N-[4-[3-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-3-oxopropyl]cyclohexyl]carbamate (PubChem CID 158131134) has the molecular formula C59H80N4O6 and a molecular weight of 941.31 g/mol. Its IUPAC name is tert-butyl N-[[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]phenyl]methyl]carbamate;tert-butyl N-[4-[3-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-3-oxopropyl]cyclohexyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]phenyl]methyl]carbamate;tert-butyl N-[4-[3-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-3-oxopropyl]cyclohexyl]carbamate
• PubChem CID: 158131134
• Molecular Formula: C59H80N4O6
• Molecular Weight: 941.31 g/mol
• Exact Mass: 940.61
• IUPAC Name: tert-butyl N-[[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]phenyl]methyl]carbamate;tert-butyl N-[4-[3-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-3-oxopropyl]cyclohexyl]carbamate
• SMILES: CC(C)CC1C2=C(CCN1C(=O)CCC1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1C2.CC(C)CC1C2=C(CCN1C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)c1ccccc1C2
• InChI: InChI=1S/C30H44N2O3.C29H36N2O3/c1-20(2)18-27-26-19-22-8-6-7-9-24(22)25(26)16-17-32(27)28(33)15-12-21-10-13-23(14-11-21)31-29(34)35-30(3,4)5;1-19(2)16-26-25-17-22-8-6-7-9-23(22)24(25)14-15-31(26)27(32)21-12-10-20(11-13-21)18-30-28(33)34-29(3,4)5/h6-9,20-21,23,27H,10-19H2,1-5H3,(H,31,34);6-13,19,26H,14-18H2,1-5H3,(H,30,33)
• InChIKey: FSUCTDBTXIOYCP-UHFFFAOYSA-N
• XLogP: 12.49
• TPSA: 117.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.31
LogP ≤ 5	12.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]phenyl]methyl]carbamate;tert-butyl N-[4-[3-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-3-oxopropyl]cyclohexyl]carbamate?

The IUPAC name of tert-butyl N-[[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]phenyl]methyl]carbamate;tert-butyl N-[4-[3-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-3-oxopropyl]cyclohexyl]carbamate (CID 158131134) is tert-butyl N-[[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]phenyl]methyl]carbamate;tert-butyl N-[4-[3-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-3-oxopropyl]cyclohexyl]carbamate.

What is the SMILES notation for tert-butyl N-[[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]phenyl]methyl]carbamate;tert-butyl N-[4-[3-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-3-oxopropyl]cyclohexyl]carbamate?

The canonical SMILES for tert-butyl N-[[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]phenyl]methyl]carbamate;tert-butyl N-[4-[3-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-3-oxopropyl]cyclohexyl]carbamate is CC(C)CC1C2=C(CCN1C(=O)CCC1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1C2.CC(C)CC1C2=C(CCN1C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)c1ccccc1C2.

What is the InChIKey of tert-butyl N-[[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]phenyl]methyl]carbamate;tert-butyl N-[4-[3-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-3-oxopropyl]cyclohexyl]carbamate?

The InChIKey is FSUCTDBTXIOYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N2O3.C29H36N2O3/c1-20(2)18-27-26-19-22-8-6-7-9-24(22)25(26)16-17-32(27)28(33)15-12-21-10-13-23(14-11-21)31-29(34)35-30(3,4)5;1-19(2)16-26-25-17-22-8-6-7-9-23(22)24(25)14-15-31(26)27(32)21-12-10-20(11-13-21)18-30-28(33)34-29(3,4)5/h6-9,20-21,23,27H,10-19H2,1-5H3,(H,31,34);6-13,19,26H,14-18H2,1-5H3,(H,30,33).

What are the key properties of tert-butyl N-[[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]phenyl]methyl]carbamate;tert-butyl N-[4-[3-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-3-oxopropyl]cyclohexyl]carbamate?

tert-butyl N-[[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]phenyl]methyl]carbamate;tert-butyl N-[4-[3-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-3-oxopropyl]cyclohexyl]carbamate has a molecular weight of 941.31 g/mol, XLogP of 12.49, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[4-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl]phenyl]methyl]carbamate;tert-butyl N-[4-[3-[1-(2-methylpropyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-3-oxopropyl]cyclohexyl]carbamate is sourced from PubChem (CID 158131134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).