acetyl acetate;8-aminonaphthalen-1-ol;N-(8-hydroxynaphthalen-1-yl)acetamide

C26H26N2O6 — CID 162236933

IUPACacetyl acetate;8-aminonaphthalen-1-ol;N-(8-hydroxynaphthalen-1-yl)acetamide
SMILESCC(=O)Nc1cccc2cccc(O)c12.CC(=O)OC(C)=O.Nc1cccc2cccc(O)c12
InChIInChI=1S/C12H11NO2.C10H9NO.C4H6O3/c1-8(14)13-10-6-2-4-9-5-3-7-11(15)12(9)10;11-8-5-1-3-7-4-2-6-9(12)10(7)8;1-3(5)7-4(2)6/h2-7,15H,1H3,(H,13,14);1-6,12H,11H2;1-2H3
InChIKeyZWEKXFFFVRBHDP-UHFFFAOYSA-N
MW462.50 g/mol
LogP4.73
Rot. Bonds1

About acetyl acetate;8-aminonaphthalen-1-ol;N-(8-hydroxynaphthalen-1-yl)acetamide

acetyl acetate;8-aminonaphthalen-1-ol;N-(8-hydroxynaphthalen-1-yl)acetamide (PubChem CID 162236933) has the molecular formula C26H26N2O6 and a molecular weight of 462.50 g/mol. Its IUPAC name is acetyl acetate;8-aminonaphthalen-1-ol;N-(8-hydroxynaphthalen-1-yl)acetamide.

Molecular Properties

Compound Nameacetyl acetate;8-aminonaphthalen-1-ol;N-(8-hydroxynaphthalen-1-yl)acetamide
PubChem CID162236933
Molecular FormulaC26H26N2O6
Molecular Weight462.50 g/mol
Exact Mass462.18
IUPAC Nameacetyl acetate;8-aminonaphthalen-1-ol;N-(8-hydroxynaphthalen-1-yl)acetamide
SMILESCC(=O)Nc1cccc2cccc(O)c12.CC(=O)OC(C)=O.Nc1cccc2cccc(O)c12
InChIInChI=1S/C12H11NO2.C10H9NO.C4H6O3/c1-8(14)13-10-6-2-4-9-5-3-7-11(15)12(9)10;11-8-5-1-3-7-4-2-6-9(12)10(7)8;1-3(5)7-4(2)6/h2-7,15H,1H3,(H,13,14);1-6,12H,11H2;1-2H3
InChIKeyZWEKXFFFVRBHDP-UHFFFAOYSA-N
XLogP4.73
TPSA138.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

8-acetamidonaphthalene-1-carboxylic acid
CID 163232881
N-(3-amino-2-fluorophenyl)acetamide
CID 23022555
N-(8-hydroxy-6-nitronaphthalen-1-yl)acetamide
CID 163233140
butyl 2-[(8-hydroxynaphthalen-1-yl)carbamoylimino]propanoate
CID 91326303
N-[2-(2-amino-6-methylphenyl)-3-methylphenyl]acetamide
CID 135260414
N-[8-(2-methoxyphenyl)naphthalen-1-yl]acetamide
CID 141351710
3-hydroxy-N-(8-hydroxynaphthalen-1-yl)naphthalene-2-carboxamide
CID 21402819
3-acetamido-2-hydroxybenzamide
CID 66833068
ethane;naphthalene-1,8-diamine
CID 90905453
1-[5-[N-(8-aminonaphthalen-1-yl)-C-methylcarbonimidoyl]-2,4-dihydroxyphenyl]ethanone
CID 155490522
N-[2-(2-acetamido-6-methylphenyl)-3-methylphenyl]acetamide
CID 22971546
[1-(2-aminoanilino)-1-oxopropan-2-yl] acetate
CID 167409598

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;8-aminonaphthalen-1-ol;N-(8-hydroxynaphthalen-1-yl)acetamide?
The IUPAC name of acetyl acetate;8-aminonaphthalen-1-ol;N-(8-hydroxynaphthalen-1-yl)acetamide (CID 162236933) is acetyl acetate;8-aminonaphthalen-1-ol;N-(8-hydroxynaphthalen-1-yl)acetamide.
What is the SMILES notation for acetyl acetate;8-aminonaphthalen-1-ol;N-(8-hydroxynaphthalen-1-yl)acetamide?
The canonical SMILES for acetyl acetate;8-aminonaphthalen-1-ol;N-(8-hydroxynaphthalen-1-yl)acetamide is CC(=O)Nc1cccc2cccc(O)c12.CC(=O)OC(C)=O.Nc1cccc2cccc(O)c12.
What is the InChIKey of acetyl acetate;8-aminonaphthalen-1-ol;N-(8-hydroxynaphthalen-1-yl)acetamide?
The InChIKey is ZWEKXFFFVRBHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2.C10H9NO.C4H6O3/c1-8(14)13-10-6-2-4-9-5-3-7-11(15)12(9)10;11-8-5-1-3-7-4-2-6-9(12)10(7)8;1-3(5)7-4(2)6/h2-7,15H,1H3,(H,13,14);1-6,12H,11H2;1-2H3.
What are the key properties of acetyl acetate;8-aminonaphthalen-1-ol;N-(8-hydroxynaphthalen-1-yl)acetamide?
acetyl acetate;8-aminonaphthalen-1-ol;N-(8-hydroxynaphthalen-1-yl)acetamide has a molecular weight of 462.50 g/mol, XLogP of 4.73, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl acetate;8-aminonaphthalen-1-ol;N-(8-hydroxynaphthalen-1-yl)acetamide is sourced from PubChem (CID 162236933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).