tert-butyl N-[1'-[(Z)-2-(ethylideneamino)-3-hydroxy-1-(methylideneamino)prop-1-enyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate

C24H34N4O3 — CID 167171223

About tert-butyl N-[1'-[(Z)-2-(ethylideneamino)-3-hydroxy-1-(methylideneamino)prop-1-enyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate

tert-butyl N-[1'-[(Z)-2-(ethylideneamino)-3-hydroxy-1-(methylideneamino)prop-1-enyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate (PubChem CID 167171223) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is tert-butyl N-[1'-[(Z)-2-(ethylideneamino)-3-hydroxy-1-(methylideneamino)prop-1-enyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1'-[(Z)-2-(ethylideneamino)-3-hydroxy-1-(methylideneamino)prop-1-enyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
• PubChem CID: 167171223
• Molecular Formula: C24H34N4O3
• Molecular Weight: 426.56 g/mol
• Exact Mass: 426.26
• IUPAC Name: tert-butyl N-[1'-[(Z)-2-(ethylideneamino)-3-hydroxy-1-(methylideneamino)prop-1-enyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate
• SMILES: C=N/C(=C(CO)\N=C\C)N1CCC2(CC1)Cc1ccccc1C2NC(=O)OC(C)(C)C
• InChI: InChI=1S/C24H34N4O3/c1-6-26-19(16-29)21(25-5)28-13-11-24(12-14-28)15-17-9-7-8-10-18(17)20(24)27-22(30)31-23(2,3)4/h6-10,20,29H,5,11-16H2,1-4H3,(H,27,30)/b21-19+,26-6+
• InChIKey: ZHKDJBYRWMGLAI-NTTBIESPSA-N
• XLogP: 3.84
• TPSA: 86.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.56
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1'-[(Z)-2-(ethylideneamino)-3-hydroxy-1-(methylideneamino)prop-1-enyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate?

The IUPAC name of tert-butyl N-[1'-[(Z)-2-(ethylideneamino)-3-hydroxy-1-(methylideneamino)prop-1-enyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate (CID 167171223) is tert-butyl N-[1'-[(Z)-2-(ethylideneamino)-3-hydroxy-1-(methylideneamino)prop-1-enyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate.

What is the SMILES notation for tert-butyl N-[1'-[(Z)-2-(ethylideneamino)-3-hydroxy-1-(methylideneamino)prop-1-enyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate?

The canonical SMILES for tert-butyl N-[1'-[(Z)-2-(ethylideneamino)-3-hydroxy-1-(methylideneamino)prop-1-enyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate is C=N/C(=C(CO)\N=C\C)N1CCC2(CC1)Cc1ccccc1C2NC(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[1'-[(Z)-2-(ethylideneamino)-3-hydroxy-1-(methylideneamino)prop-1-enyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate?

The InChIKey is ZHKDJBYRWMGLAI-NTTBIESPSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-6-26-19(16-29)21(25-5)28-13-11-24(12-14-28)15-17-9-7-8-10-18(17)20(24)27-22(30)31-23(2,3)4/h6-10,20,29H,5,11-16H2,1-4H3,(H,27,30)/b21-19+,26-6+.

What are the key properties of tert-butyl N-[1'-[(Z)-2-(ethylideneamino)-3-hydroxy-1-(methylideneamino)prop-1-enyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate?

tert-butyl N-[1'-[(Z)-2-(ethylideneamino)-3-hydroxy-1-(methylideneamino)prop-1-enyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate has a molecular weight of 426.56 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1'-[(Z)-2-(ethylideneamino)-3-hydroxy-1-(methylideneamino)prop-1-enyl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamate is sourced from PubChem (CID 167171223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).