[3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate

C25H32N6O4 — CID 122505964

About [3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate

[3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate (PubChem CID 122505964) has the molecular formula C25H32N6O4 and a molecular weight of 480.57 g/mol. Its IUPAC name is [3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate.

Molecular Properties

• Compound Name: [3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate
• PubChem CID: 122505964
• Molecular Formula: C25H32N6O4
• Molecular Weight: 480.57 g/mol
• Exact Mass: 480.25
• IUPAC Name: [3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate
• SMILES: CCOCc1nnnn1-c1cc(OC(=O)NC(C)CN2CCOCC2)cc(-c2ccc(C)cc2)c1
• InChI: InChI=1S/C25H32N6O4/c1-4-33-17-24-27-28-29-31(24)22-13-21(20-7-5-18(2)6-8-20)14-23(15-22)35-25(32)26-19(3)16-30-9-11-34-12-10-30/h5-8,13-15,19H,4,9-12,16-17H2,1-3H3,(H,26,32)
• InChIKey: ZHMVWNPXVGENDS-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 103.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.57
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate?

The IUPAC name of [3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate (CID 122505964) is [3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate.

What is the SMILES notation for [3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate?

The canonical SMILES for [3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate is CCOCc1nnnn1-c1cc(OC(=O)NC(C)CN2CCOCC2)cc(-c2ccc(C)cc2)c1.

What is the InChIKey of [3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate?

The InChIKey is ZHMVWNPXVGENDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O4/c1-4-33-17-24-27-28-29-31(24)22-13-21(20-7-5-18(2)6-8-20)14-23(15-22)35-25(32)26-19(3)16-30-9-11-34-12-10-30/h5-8,13-15,19H,4,9-12,16-17H2,1-3H3,(H,26,32).

What are the key properties of [3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate?

[3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate has a molecular weight of 480.57 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[5-(ethoxymethyl)tetrazol-1-yl]-5-(4-methylphenyl)phenyl] N-(1-morpholin-4-ylpropan-2-yl)carbamate is sourced from PubChem (CID 122505964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).