N-acetyl-N-acridin-9-ylacetamide

C17H14N2O2 — CID 138324602

IUPACN-acetyl-N-acridin-9-ylacetamide
SMILESCC(=O)N(C(C)=O)c1c2ccccc2nc2ccccc12
InChIInChI=1S/C17H14N2O2/c1-11(20)19(12(2)21)17-13-7-3-5-9-15(13)18-16-10-6-4-8-14(16)17/h3-10H,1-2H3
InChIKeyMEZBLBKXIWXGEW-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.29
Rot. Bonds1

About N-acetyl-N-acridin-9-ylacetamide

N-acetyl-N-acridin-9-ylacetamide (PubChem CID 138324602) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-acetyl-N-acridin-9-ylacetamide.

Molecular Properties

Compound NameN-acetyl-N-acridin-9-ylacetamide
PubChem CID138324602
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-acetyl-N-acridin-9-ylacetamide
SMILESCC(=O)N(C(C)=O)c1c2ccccc2nc2ccccc12
InChIInChI=1S/C17H14N2O2/c1-11(20)19(12(2)21)17-13-7-3-5-9-15(13)18-16-10-6-4-8-14(16)17/h3-10H,1-2H3
InChIKeyMEZBLBKXIWXGEW-UHFFFAOYSA-N
XLogP3.29
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-acridin-9-ylacetamide?
The IUPAC name of N-acetyl-N-acridin-9-ylacetamide (CID 138324602) is N-acetyl-N-acridin-9-ylacetamide.
What is the SMILES notation for N-acetyl-N-acridin-9-ylacetamide?
The canonical SMILES for N-acetyl-N-acridin-9-ylacetamide is CC(=O)N(C(C)=O)c1c2ccccc2nc2ccccc12.
What is the InChIKey of N-acetyl-N-acridin-9-ylacetamide?
The InChIKey is MEZBLBKXIWXGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11(20)19(12(2)21)17-13-7-3-5-9-15(13)18-16-10-6-4-8-14(16)17/h3-10H,1-2H3.
What are the key properties of N-acetyl-N-acridin-9-ylacetamide?
N-acetyl-N-acridin-9-ylacetamide has a molecular weight of 278.31 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-acridin-9-ylacetamide is sourced from PubChem (CID 138324602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).