N-[2-(4-tert-butylphenyl)ethyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide

C26H33N3O2 — CID 90864831

About N-[2-(4-tert-butylphenyl)ethyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide

N-[2-(4-tert-butylphenyl)ethyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (PubChem CID 90864831) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)ethyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-tert-butylphenyl)ethyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
• PubChem CID: 90864831
• Molecular Formula: C26H33N3O2
• Molecular Weight: 419.57 g/mol
• Exact Mass: 419.26
• IUPAC Name: N-[2-(4-tert-butylphenyl)ethyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide
• SMILES: CC(C)(C)c1ccc(CCNC(=O)N2CCC3(C=C(c4ccccc4)NO3)CC2)cc1
• InChI: InChI=1S/C26H33N3O2/c1-25(2,3)22-11-9-20(10-12-22)13-16-27-24(30)29-17-14-26(15-18-29)19-23(28-31-26)21-7-5-4-6-8-21/h4-12,19,28H,13-18H2,1-3H3,(H,27,30)
• InChIKey: JKNIDAFZLFNLND-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 53.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.57
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?

The IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide (CID 90864831) is N-[2-(4-tert-butylphenyl)ethyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide.

What is the SMILES notation for N-[2-(4-tert-butylphenyl)ethyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?

The canonical SMILES for N-[2-(4-tert-butylphenyl)ethyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is CC(C)(C)c1ccc(CCNC(=O)N2CCC3(C=C(c4ccccc4)NO3)CC2)cc1.

What is the InChIKey of N-[2-(4-tert-butylphenyl)ethyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?

The InChIKey is JKNIDAFZLFNLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-25(2,3)22-11-9-20(10-12-22)13-16-27-24(30)29-17-14-26(15-18-29)19-23(28-31-26)21-7-5-4-6-8-21/h4-12,19,28H,13-18H2,1-3H3,(H,27,30).

What are the key properties of N-[2-(4-tert-butylphenyl)ethyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide?

N-[2-(4-tert-butylphenyl)ethyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-tert-butylphenyl)ethyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-ene-8-carboxamide is sourced from PubChem (CID 90864831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).