2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide

C25H18N2O4 — CID 108794350

IUPAC2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)noc2c1
InChIInChI=1S/C25H18N2O4/c1-13-10-14(2)22-19(27-31-20(22)11-13)12-21(28)26-18-9-5-8-17-23(18)25(30)16-7-4-3-6-15(16)24(17)29/h3-11H,12H2,1-2H3,(H,26,28)
InChIKeyCUMUORMFVBGDHU-UHFFFAOYSA-N
MW410.43 g/mol
LogP4.40
Rot. Bonds3

About 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide

2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide (PubChem CID 108794350) has the molecular formula C25H18N2O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide
PubChem CID108794350
Molecular FormulaC25H18N2O4
Molecular Weight410.43 g/mol
Exact Mass410.13
IUPAC Name2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide
SMILESCc1cc(C)c2c(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)noc2c1
InChIInChI=1S/C25H18N2O4/c1-13-10-14(2)22-19(27-31-20(22)11-13)12-21(28)26-18-9-5-8-17-23(18)25(30)16-7-4-3-6-15(16)24(17)29/h3-11H,12H2,1-2H3,(H,26,28)
InChIKeyCUMUORMFVBGDHU-UHFFFAOYSA-N
XLogP4.40
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 108794428
N-(4-bromo-2-methylphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108805970
N-[3-(dimethylamino)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794386
N-(4-bromo-3-methylphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108805971
ethyl 3-[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108806024
N-(2,5-dimethoxyphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794289
N-[4-(benzylsulfamoyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806054
ethyl 4-[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]benzoate
CID 108794230
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108806013
2-(5-methyl-1,2-benzoxazol-3-yl)-N-(2-methylphenyl)acetamide
CID 22519860
2-[[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]amino]butanoic acid
CID 108805961
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 108806045

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide (CID 108794350) is 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide is Cc1cc(C)c2c(CC(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)noc2c1.
What is the InChIKey of 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide?
The InChIKey is CUMUORMFVBGDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O4/c1-13-10-14(2)22-19(27-31-20(22)11-13)12-21(28)26-18-9-5-8-17-23(18)25(30)16-7-4-3-6-15(16)24(17)29/h3-11H,12H2,1-2H3,(H,26,28).
What are the key properties of 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide?
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide has a molecular weight of 410.43 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-(9,10-dioxoanthracen-1-yl)acetamide is sourced from PubChem (CID 108794350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).