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'}

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Related Compounds

ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
N-[2-(2-acetamido-6-methylphenyl)-3-methylphenyl]acetamide
CID 22971546
methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate
CID 90481970
N-(6-tricyclo[10.2.2.25,8]octadeca-1(15),5,7,12(16),13,17-hexaenyl)acetamide
CID 626194
dimethyl (E)-2-[(8-oxo-6,7-dihydro-5H-naphthalen-1-yl)amino]but-2-enedioate
CID 168569548
N-(1-oxo-4H-isoquinolin-8-yl)acetamide
CID 68874536
N-(2-acetamido-5-methylphenyl)-2,3-dihydro-1H-indene-4-carboxamide
CID 126795816
N-[2-(2-amino-6-methylphenyl)-3-methylphenyl]acetamide
CID 135260414
N-[(6R)-6-amino-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
CID 18650731
3,4-dihydro-2H-naphthalen-1-imine
CID 11019004
N-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane
CID 143956506
N-(3,4-dihydronaphthalen-1-yl)acetamide
CID 10176439

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).