N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

C23H23N3O2 — CID 30970419

About N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 30970419) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
• PubChem CID: 30970419
• Molecular Formula: C23H23N3O2
• Molecular Weight: 373.46 g/mol
• Exact Mass: 373.18
• IUPAC Name: N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
• SMILES: Cn1ccnc1C(=O)c1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1
• InChI: InChI=1S/C23H23N3O2/c1-26-13-12-24-23(26)22(28)18-8-10-20(11-9-18)25-21(27)15-16-6-7-17-4-2-3-5-19(17)14-16/h6-14H,2-5,15H2,1H3,(H,25,27)
• InChIKey: BAVJHRBRKAWLAG-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 63.99 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	373.46
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?

The IUPAC name of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide (CID 30970419) is N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide.

What is the SMILES notation for N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?

The canonical SMILES for N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is Cn1ccnc1C(=O)c1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1.

What is the InChIKey of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?

The InChIKey is BAVJHRBRKAWLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-26-13-12-24-23(26)22(28)18-8-10-20(11-9-18)25-21(27)15-16-6-7-17-4-2-3-5-19(17)14-16/h6-14H,2-5,15H2,1H3,(H,25,27).

What are the key properties of N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide?

N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 373.46 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 30970419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).