7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C19H27N3O2 — CID 118740736

About 7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 118740736) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: 7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• PubChem CID: 118740736
• Molecular Formula: C19H27N3O2
• Molecular Weight: 329.44 g/mol
• Exact Mass: 329.21
• IUPAC Name: 7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• SMILES: Cc1cccc(CN2CCC3(CC(C(=O)NCC(C)C)=NO3)C2)c1
• InChI: InChI=1S/C19H27N3O2/c1-14(2)11-20-18(23)17-10-19(24-21-17)7-8-22(13-19)12-16-6-4-5-15(3)9-16/h4-6,9,14H,7-8,10-13H2,1-3H3,(H,20,23)
• InChIKey: HWTJQWIUSLLGMN-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 53.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.44
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The IUPAC name of 7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 118740736) is 7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

What is the SMILES notation for 7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The canonical SMILES for 7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is Cc1cccc(CN2CCC3(CC(C(=O)NCC(C)C)=NO3)C2)c1.

What is the InChIKey of 7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The InChIKey is HWTJQWIUSLLGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)11-20-18(23)17-10-19(24-21-17)7-8-22(13-19)12-16-6-4-5-15(3)9-16/h4-6,9,14H,7-8,10-13H2,1-3H3,(H,20,23).

What are the key properties of 7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 118740736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).