N-(4-acetyl-9,10-dioxoanthracen-1-yl)acetamide

C18H13NO4 — CID 165362960

IUPACN-(4-acetyl-9,10-dioxoanthracen-1-yl)acetamide
SMILESCC(=O)Nc1ccc(C(C)=O)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H13NO4/c1-9(20)11-7-8-14(19-10(2)21)16-15(11)17(22)12-5-3-4-6-13(12)18(16)23/h3-8H,1-2H3,(H,19,21)
InChIKeyAUFDHZFELDFZFJ-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.62
Rot. Bonds2

About N-(4-acetyl-9,10-dioxoanthracen-1-yl)acetamide

N-(4-acetyl-9,10-dioxoanthracen-1-yl)acetamide (PubChem CID 165362960) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(4-acetyl-9,10-dioxoanthracen-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetyl-9,10-dioxoanthracen-1-yl)acetamide
PubChem CID165362960
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC NameN-(4-acetyl-9,10-dioxoanthracen-1-yl)acetamide
SMILESCC(=O)Nc1ccc(C(C)=O)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H13NO4/c1-9(20)11-7-8-14(19-10(2)21)16-15(11)17(22)12-5-3-4-6-13(12)18(16)23/h3-8H,1-2H3,(H,19,21)
InChIKeyAUFDHZFELDFZFJ-UHFFFAOYSA-N
XLogP2.62
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-anilino-9,10-dioxoanthracen-1-yl)acetamide
CID 5166275
N-(9-methylidene-10-oxoanthracen-1-yl)acetamide
CID 138614732
N-(4-amino-3-methoxy-9,10-dioxoanthracen-1-yl)acetamide
CID 3019962
dimethyl 9,10-dioxoanthracene-1,4-dicarboxylate
CID 11771669
2-chloro-N-[4-[(2-chloroacetyl)amino]-9,10-dioxoanthracen-1-yl]acetamide
CID 14220963
2-acetyl-1-hydroxyanthracene-9,10-dione
CID 12033048
N-(4-bromo-1-methyl-9,10-dioxoanthracen-2-yl)acetamide
CID 70367157
N-(8-acetamido-4,5-dibromo-9,10-dioxoanthracen-1-yl)acetamide
CID 4183383
N-[4-[4-[(2-iodoacetyl)amino]-9,10-dioxoanthracen-1-yl]-9,10-dioxoanthracen-1-yl]propanamide
CID 89062106
N-(1,3,4-trioxoisoquinolin-5-yl)acetamide
CID 11572178
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
N-(3-acetamidoazulen-1-yl)acetamide
CID 86151929

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-9,10-dioxoanthracen-1-yl)acetamide?
The IUPAC name of N-(4-acetyl-9,10-dioxoanthracen-1-yl)acetamide (CID 165362960) is N-(4-acetyl-9,10-dioxoanthracen-1-yl)acetamide.
What is the SMILES notation for N-(4-acetyl-9,10-dioxoanthracen-1-yl)acetamide?
The canonical SMILES for N-(4-acetyl-9,10-dioxoanthracen-1-yl)acetamide is CC(=O)Nc1ccc(C(C)=O)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(4-acetyl-9,10-dioxoanthracen-1-yl)acetamide?
The InChIKey is AUFDHZFELDFZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c1-9(20)11-7-8-14(19-10(2)21)16-15(11)17(22)12-5-3-4-6-13(12)18(16)23/h3-8H,1-2H3,(H,19,21).
What are the key properties of N-(4-acetyl-9,10-dioxoanthracen-1-yl)acetamide?
N-(4-acetyl-9,10-dioxoanthracen-1-yl)acetamide has a molecular weight of 307.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-9,10-dioxoanthracen-1-yl)acetamide is sourced from PubChem (CID 165362960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).