N-(3,4-dimethylphenyl)-2-[8-(naphthalene-1-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

C34H34N4O3 — CID 3364866

About N-(3,4-dimethylphenyl)-2-[8-(naphthalene-1-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

N-(3,4-dimethylphenyl)-2-[8-(naphthalene-1-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 3364866) has the molecular formula C34H34N4O3 and a molecular weight of 546.67 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[8-(naphthalene-1-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(3,4-dimethylphenyl)-2-[8-(naphthalene-1-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• PubChem CID: 3364866
• Molecular Formula: C34H34N4O3
• Molecular Weight: 546.67 g/mol
• Exact Mass: 546.26
• IUPAC Name: N-(3,4-dimethylphenyl)-2-[8-(naphthalene-1-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
• SMILES: Cc1ccc(NC(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)c4cccc5ccccc45)CC3)C2=O)cc1C
• InChI: InChI=1S/C34H34N4O3/c1-24-15-16-27(21-25(24)2)35-31(39)22-37-23-38(28-11-4-3-5-12-28)34(33(37)41)17-19-36(20-18-34)32(40)30-14-8-10-26-9-6-7-13-29(26)30/h3-16,21H,17-20,22-23H2,1-2H3,(H,35,39)
• InChIKey: PYRZUSKHAHNXKN-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.67
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[8-(naphthalene-1-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The IUPAC name of N-(3,4-dimethylphenyl)-2-[8-(naphthalene-1-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 3364866) is N-(3,4-dimethylphenyl)-2-[8-(naphthalene-1-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[8-(naphthalene-1-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The canonical SMILES for N-(3,4-dimethylphenyl)-2-[8-(naphthalene-1-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is Cc1ccc(NC(=O)CN2CN(c3ccccc3)C3(CCN(C(=O)c4cccc5ccccc45)CC3)C2=O)cc1C.

What is the InChIKey of N-(3,4-dimethylphenyl)-2-[8-(naphthalene-1-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

The InChIKey is PYRZUSKHAHNXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O3/c1-24-15-16-27(21-25(24)2)35-31(39)22-37-23-38(28-11-4-3-5-12-28)34(33(37)41)17-19-36(20-18-34)32(40)30-14-8-10-26-9-6-7-13-29(26)30/h3-16,21H,17-20,22-23H2,1-2H3,(H,35,39).

What are the key properties of N-(3,4-dimethylphenyl)-2-[8-(naphthalene-1-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?

N-(3,4-dimethylphenyl)-2-[8-(naphthalene-1-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 546.67 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethylphenyl)-2-[8-(naphthalene-1-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 3364866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).