[3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(4-phenylphenyl)carbamate

C30H33N3O3 — CID 91408960

About [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(4-phenylphenyl)carbamate

[3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(4-phenylphenyl)carbamate (PubChem CID 91408960) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(4-phenylphenyl)carbamate.

Molecular Properties

• Compound Name: [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(4-phenylphenyl)carbamate
• PubChem CID: 91408960
• Molecular Formula: C30H33N3O3
• Molecular Weight: 483.61 g/mol
• Exact Mass: 483.25
• IUPAC Name: [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(4-phenylphenyl)carbamate
• SMILES: CC(C)(C)c1ccc(C2=CC3(CCN(OC(=O)Nc4ccc(-c5ccccc5)cc4)CC3)ON2)cc1
• InChI: InChI=1S/C30H33N3O3/c1-29(2,3)25-13-9-24(10-14-25)27-21-30(36-32-27)17-19-33(20-18-30)35-28(34)31-26-15-11-23(12-16-26)22-7-5-4-6-8-22/h4-16,21,32H,17-20H2,1-3H3,(H,31,34)
• InChIKey: VPXLJNDTHAFZJD-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 62.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.61
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(4-phenylphenyl)carbamate?

The IUPAC name of [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(4-phenylphenyl)carbamate (CID 91408960) is [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(4-phenylphenyl)carbamate.

What is the SMILES notation for [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(4-phenylphenyl)carbamate?

The canonical SMILES for [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(4-phenylphenyl)carbamate is CC(C)(C)c1ccc(C2=CC3(CCN(OC(=O)Nc4ccc(-c5ccccc5)cc4)CC3)ON2)cc1.

What is the InChIKey of [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(4-phenylphenyl)carbamate?

The InChIKey is VPXLJNDTHAFZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3/c1-29(2,3)25-13-9-24(10-14-25)27-21-30(36-32-27)17-19-33(20-18-30)35-28(34)31-26-15-11-23(12-16-26)22-7-5-4-6-8-22/h4-16,21,32H,17-20H2,1-3H3,(H,31,34).

What are the key properties of [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(4-phenylphenyl)carbamate?

[3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(4-phenylphenyl)carbamate has a molecular weight of 483.61 g/mol, XLogP of 6.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl] N-(4-phenylphenyl)carbamate is sourced from PubChem (CID 91408960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).