3,5-dimethyl-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide

C23H26N2O4 — CID 24646089

About 3,5-dimethyl-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide

3,5-dimethyl-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide (PubChem CID 24646089) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide.

Molecular Properties

• Compound Name: 3,5-dimethyl-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide
• PubChem CID: 24646089
• Molecular Formula: C23H26N2O4
• Molecular Weight: 394.47 g/mol
• Exact Mass: 394.19
• IUPAC Name: 3,5-dimethyl-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide
• SMILES: Cc1cc(C)cc(C(=O)NCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1
• InChI: InChI=1S/C23H26N2O4/c1-15-10-16(2)12-17(11-15)22(27)24-14-21(26)25-18-6-7-19-20(13-18)29-23(28-19)8-4-3-5-9-23/h6-7,10-13H,3-5,8-9,14H2,1-2H3,(H,24,27)(H,25,26)
• InChIKey: QLTZMXVWYJCXCN-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.47
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide?

The IUPAC name of 3,5-dimethyl-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide (CID 24646089) is 3,5-dimethyl-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide.

What is the SMILES notation for 3,5-dimethyl-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide?

The canonical SMILES for 3,5-dimethyl-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide is Cc1cc(C)cc(C(=O)NCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1.

What is the InChIKey of 3,5-dimethyl-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide?

The InChIKey is QLTZMXVWYJCXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-15-10-16(2)12-17(11-15)22(27)24-14-21(26)25-18-6-7-19-20(13-18)29-23(28-19)8-4-3-5-9-23/h6-7,10-13H,3-5,8-9,14H2,1-2H3,(H,24,27)(H,25,26).

What are the key properties of 3,5-dimethyl-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide?

3,5-dimethyl-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide has a molecular weight of 394.47 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide is sourced from PubChem (CID 24646089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).