3-(2-methoxyethyl)-N-(4-methoxyphenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide

C22H25N3O3 — CID 53140415

About 3-(2-methoxyethyl)-N-(4-methoxyphenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide

3-(2-methoxyethyl)-N-(4-methoxyphenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide (PubChem CID 53140415) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-N-(4-methoxyphenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide.

Molecular Properties

• Compound Name: 3-(2-methoxyethyl)-N-(4-methoxyphenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
• PubChem CID: 53140415
• Molecular Formula: C22H25N3O3
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.19
• IUPAC Name: 3-(2-methoxyethyl)-N-(4-methoxyphenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
• SMILES: COCCn1cc2c3c(cccc31)CN(C(=O)Nc1ccc(OC)cc1)CC2
• InChI: InChI=1S/C22H25N3O3/c1-27-13-12-24-14-17-10-11-25(15-16-4-3-5-20(24)21(16)17)22(26)23-18-6-8-19(28-2)9-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,23,26)
• InChIKey: AFAXOSVNTUDJEP-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 55.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.46
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-N-(4-methoxyphenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide?

The IUPAC name of 3-(2-methoxyethyl)-N-(4-methoxyphenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide (CID 53140415) is 3-(2-methoxyethyl)-N-(4-methoxyphenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide.

What is the SMILES notation for 3-(2-methoxyethyl)-N-(4-methoxyphenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide?

The canonical SMILES for 3-(2-methoxyethyl)-N-(4-methoxyphenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide is COCCn1cc2c3c(cccc31)CN(C(=O)Nc1ccc(OC)cc1)CC2.

What is the InChIKey of 3-(2-methoxyethyl)-N-(4-methoxyphenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide?

The InChIKey is AFAXOSVNTUDJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-27-13-12-24-14-17-10-11-25(15-16-4-3-5-20(24)21(16)17)22(26)23-18-6-8-19(28-2)9-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,23,26).

What are the key properties of 3-(2-methoxyethyl)-N-(4-methoxyphenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide?

3-(2-methoxyethyl)-N-(4-methoxyphenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methoxyethyl)-N-(4-methoxyphenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide is sourced from PubChem (CID 53140415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).