N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide

C26H32N6O4 — CID 1153910

About N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide

N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide (PubChem CID 1153910) has the molecular formula C26H32N6O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide
• PubChem CID: 1153910
• Molecular Formula: C26H32N6O4
• Molecular Weight: 492.58 g/mol
• Exact Mass: 492.25
• IUPAC Name: N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide
• SMILES: COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)c3cccc(C)c3)n2)cc1OC
• InChI: InChI=1S/C26H32N6O4/c1-18-8-7-11-21(14-18)31(16-24(33)27-20-9-5-4-6-10-20)25(34)17-32-29-26(28-30-32)19-12-13-22(35-2)23(15-19)36-3/h7-8,11-15,20H,4-6,9-10,16-17H2,1-3H3,(H,27,33)
• InChIKey: VZKGMLLNJBMAEE-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 111.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.58
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide?

The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide (CID 1153910) is N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide.

What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide?

The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide is COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)c3cccc(C)c3)n2)cc1OC.

What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide?

The InChIKey is VZKGMLLNJBMAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O4/c1-18-8-7-11-21(14-18)31(16-24(33)27-20-9-5-4-6-10-20)25(34)17-32-29-26(28-30-32)19-12-13-22(35-2)23(15-19)36-3/h7-8,11-15,20H,4-6,9-10,16-17H2,1-3H3,(H,27,33).

What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide?

N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 492.58 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclohexylamino)-2-oxoethyl]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 1153910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).