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

C18H14N2O4 — CID 23032

IUPACN-(4-acetamido-9,10-dioxoanthracen-1-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(C)=O)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H14N2O4/c1-9(21)19-13-7-8-14(20-10(2)22)16-15(13)17(23)11-5-3-4-6-12(11)18(16)24/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyKPHHXNVVLVNAMV-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.38
Rot. Bonds2

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

N-(4-acetamido-9,10-dioxoanthracen-1-yl)acetamide (PubChem CID 23032) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-(4-acetamido-9,10-dioxoanthracen-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamido-9,10-dioxoanthracen-1-yl)acetamide
PubChem CID23032
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC NameN-(4-acetamido-9,10-dioxoanthracen-1-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(C)=O)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H14N2O4/c1-9(21)19-13-7-8-14(20-10(2)22)16-15(13)17(23)11-5-3-4-6-12(11)18(16)24/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyKPHHXNVVLVNAMV-UHFFFAOYSA-N
XLogP2.38
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-9,10-dioxoanthracen-1-yl)acetamide?
The IUPAC name of N-(4-acetamido-9,10-dioxoanthracen-1-yl)acetamide (CID 23032) is N-(4-acetamido-9,10-dioxoanthracen-1-yl)acetamide.
What is the SMILES notation for N-(4-acetamido-9,10-dioxoanthracen-1-yl)acetamide?
The canonical SMILES for N-(4-acetamido-9,10-dioxoanthracen-1-yl)acetamide is CC(=O)Nc1ccc(NC(C)=O)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(4-acetamido-9,10-dioxoanthracen-1-yl)acetamide?
The InChIKey is KPHHXNVVLVNAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-9(21)19-13-7-8-14(20-10(2)22)16-15(13)17(23)11-5-3-4-6-12(11)18(16)24/h3-8H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-acetamido-9,10-dioxoanthracen-1-yl)acetamide?
N-(4-acetamido-9,10-dioxoanthracen-1-yl)acetamide has a molecular weight of 322.32 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-9,10-dioxoanthracen-1-yl)acetamide is sourced from PubChem (CID 23032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).