tert-butyl N-[7-[(4-methoxyphenyl)methyl]-6,8-dioxo-2-phenyl-5,7-diazaspiro[3.5]nonan-2-yl]-N-methylcarbamate

C27H33N3O5 — CID 155223427

About tert-butyl N-[7-[(4-methoxyphenyl)methyl]-6,8-dioxo-2-phenyl-5,7-diazaspiro[3.5]nonan-2-yl]-N-methylcarbamate

tert-butyl N-[7-[(4-methoxyphenyl)methyl]-6,8-dioxo-2-phenyl-5,7-diazaspiro[3.5]nonan-2-yl]-N-methylcarbamate (PubChem CID 155223427) has the molecular formula C27H33N3O5 and a molecular weight of 479.58 g/mol. Its IUPAC name is tert-butyl N-[7-[(4-methoxyphenyl)methyl]-6,8-dioxo-2-phenyl-5,7-diazaspiro[3.5]nonan-2-yl]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[7-[(4-methoxyphenyl)methyl]-6,8-dioxo-2-phenyl-5,7-diazaspiro[3.5]nonan-2-yl]-N-methylcarbamate
• PubChem CID: 155223427
• Molecular Formula: C27H33N3O5
• Molecular Weight: 479.58 g/mol
• Exact Mass: 479.24
• IUPAC Name: tert-butyl N-[7-[(4-methoxyphenyl)methyl]-6,8-dioxo-2-phenyl-5,7-diazaspiro[3.5]nonan-2-yl]-N-methylcarbamate
• SMILES: COc1ccc(CN2C(=O)CC3(CC(c4ccccc4)(N(C)C(=O)OC(C)(C)C)C3)NC2=O)cc1
• InChI: InChI=1S/C27H33N3O5/c1-25(2,3)35-24(33)29(4)27(20-9-7-6-8-10-20)17-26(18-27)15-22(31)30(23(32)28-26)16-19-11-13-21(34-5)14-12-19/h6-14H,15-18H2,1-5H3,(H,28,32)
• InChIKey: ATFZAUCEQRVSBV-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.58
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[7-[(4-methoxyphenyl)methyl]-6,8-dioxo-2-phenyl-5,7-diazaspiro[3.5]nonan-2-yl]-N-methylcarbamate?

The IUPAC name of tert-butyl N-[7-[(4-methoxyphenyl)methyl]-6,8-dioxo-2-phenyl-5,7-diazaspiro[3.5]nonan-2-yl]-N-methylcarbamate (CID 155223427) is tert-butyl N-[7-[(4-methoxyphenyl)methyl]-6,8-dioxo-2-phenyl-5,7-diazaspiro[3.5]nonan-2-yl]-N-methylcarbamate.

What is the SMILES notation for tert-butyl N-[7-[(4-methoxyphenyl)methyl]-6,8-dioxo-2-phenyl-5,7-diazaspiro[3.5]nonan-2-yl]-N-methylcarbamate?

The canonical SMILES for tert-butyl N-[7-[(4-methoxyphenyl)methyl]-6,8-dioxo-2-phenyl-5,7-diazaspiro[3.5]nonan-2-yl]-N-methylcarbamate is COc1ccc(CN2C(=O)CC3(CC(c4ccccc4)(N(C)C(=O)OC(C)(C)C)C3)NC2=O)cc1.

What is the InChIKey of tert-butyl N-[7-[(4-methoxyphenyl)methyl]-6,8-dioxo-2-phenyl-5,7-diazaspiro[3.5]nonan-2-yl]-N-methylcarbamate?

The InChIKey is ATFZAUCEQRVSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O5/c1-25(2,3)35-24(33)29(4)27(20-9-7-6-8-10-20)17-26(18-27)15-22(31)30(23(32)28-26)16-19-11-13-21(34-5)14-12-19/h6-14H,15-18H2,1-5H3,(H,28,32).

What are the key properties of tert-butyl N-[7-[(4-methoxyphenyl)methyl]-6,8-dioxo-2-phenyl-5,7-diazaspiro[3.5]nonan-2-yl]-N-methylcarbamate?

tert-butyl N-[7-[(4-methoxyphenyl)methyl]-6,8-dioxo-2-phenyl-5,7-diazaspiro[3.5]nonan-2-yl]-N-methylcarbamate has a molecular weight of 479.58 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[7-[(4-methoxyphenyl)methyl]-6,8-dioxo-2-phenyl-5,7-diazaspiro[3.5]nonan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 155223427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).