acetamide;N-(8-imino-6,7-dihydro-5H-naphthalen-1-yl)acetamide

C14H19N3O2 — CID 162242443

IUPACacetamide;N-(8-imino-6,7-dihydro-5H-naphthalen-1-yl)acetamide
SMILESCC(N)=O.[H]/N=C1\CCCc2cccc(NC(C)=O)c21
InChIInChI=1S/C12H14N2O.C2H5NO/c1-8(15)14-11-7-3-5-9-4-2-6-10(13)12(9)11;1-2(3)4/h3,5,7,13H,2,4,6H2,1H3,(H,14,15);1H3,(H2,3,4)/b13-10+;
InChIKeyZWWOCYMCORNLOQ-RSGUCCNWSA-N
MW261.32 g/mol
LogP1.84
Rot. Bonds1

About acetamide;N-(8-imino-6,7-dihydro-5H-naphthalen-1-yl)acetamide

acetamide;N-(8-imino-6,7-dihydro-5H-naphthalen-1-yl)acetamide (PubChem CID 162242443) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is acetamide;N-(8-imino-6,7-dihydro-5H-naphthalen-1-yl)acetamide.

Molecular Properties

Compound Nameacetamide;N-(8-imino-6,7-dihydro-5H-naphthalen-1-yl)acetamide
PubChem CID162242443
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Nameacetamide;N-(8-imino-6,7-dihydro-5H-naphthalen-1-yl)acetamide
SMILESCC(N)=O.[H]/N=C1\CCCc2cccc(NC(C)=O)c21
InChIInChI=1S/C12H14N2O.C2H5NO/c1-8(15)14-11-7-3-5-9-4-2-6-10(13)12(9)11;1-2(3)4/h3,5,7,13H,2,4,6H2,1H3,(H,14,15);1H3,(H2,3,4)/b13-10+;
InChIKeyZWWOCYMCORNLOQ-RSGUCCNWSA-N
XLogP1.84
TPSA96.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze acetamide;N-(8-imino-6,7-dihydro-5H-naphthalen-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

Frequently Asked Questions

What is the IUPAC name of acetamide;N-(8-imino-6,7-dihydro-5H-naphthalen-1-yl)acetamide?
The IUPAC name of acetamide;N-(8-imino-6,7-dihydro-5H-naphthalen-1-yl)acetamide (CID 162242443) is acetamide;N-(8-imino-6,7-dihydro-5H-naphthalen-1-yl)acetamide.
What is the SMILES notation for acetamide;N-(8-imino-6,7-dihydro-5H-naphthalen-1-yl)acetamide?
The canonical SMILES for acetamide;N-(8-imino-6,7-dihydro-5H-naphthalen-1-yl)acetamide is CC(N)=O.[H]/N=C1\CCCc2cccc(NC(C)=O)c21.
What is the InChIKey of acetamide;N-(8-imino-6,7-dihydro-5H-naphthalen-1-yl)acetamide?
The InChIKey is ZWWOCYMCORNLOQ-RSGUCCNWSA-N. The full InChI is InChI=1S/C12H14N2O.C2H5NO/c1-8(15)14-11-7-3-5-9-4-2-6-10(13)12(9)11;1-2(3)4/h3,5,7,13H,2,4,6H2,1H3,(H,14,15);1H3,(H2,3,4)/b13-10+;.
What are the key properties of acetamide;N-(8-imino-6,7-dihydro-5H-naphthalen-1-yl)acetamide?
acetamide;N-(8-imino-6,7-dihydro-5H-naphthalen-1-yl)acetamide has a molecular weight of 261.32 g/mol, XLogP of 1.84, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;N-(8-imino-6,7-dihydro-5H-naphthalen-1-yl)acetamide is sourced from PubChem (CID 162242443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).