[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(3-chlorophenyl)carbamate

C21H22ClN3O4 — CID 69277979

About [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(3-chlorophenyl)carbamate

[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(3-chlorophenyl)carbamate (PubChem CID 69277979) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(3-chlorophenyl)carbamate.

Molecular Properties

• Compound Name: [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(3-chlorophenyl)carbamate
• PubChem CID: 69277979
• Molecular Formula: C21H22ClN3O4
• Molecular Weight: 415.88 g/mol
• Exact Mass: 415.13
• IUPAC Name: [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(3-chlorophenyl)carbamate
• SMILES: COc1cccc(C2=NOC3(CCN(OC(=O)Nc4cccc(Cl)c4)CC3)C2)c1
• InChI: InChI=1S/C21H22ClN3O4/c1-27-18-7-2-4-15(12-18)19-14-21(29-24-19)8-10-25(11-9-21)28-20(26)23-17-6-3-5-16(22)13-17/h2-7,12-13H,8-11,14H2,1H3,(H,23,26)
• InChIKey: JKUDWDUPOVSSAW-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 72.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.88
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(3-chlorophenyl)carbamate (CID 69277979) is [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(3-chlorophenyl)carbamate.

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

The canonical SMILES for [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(3-chlorophenyl)carbamate is COc1cccc(C2=NOC3(CCN(OC(=O)Nc4cccc(Cl)c4)CC3)C2)c1.

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

The InChIKey is JKUDWDUPOVSSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c1-27-18-7-2-4-15(12-18)19-14-21(29-24-19)8-10-25(11-9-21)28-20(26)23-17-6-3-5-16(22)13-17/h2-7,12-13H,8-11,14H2,1H3,(H,23,26).

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

[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(3-chlorophenyl)carbamate has a molecular weight of 415.88 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 69277979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).