N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(4-nitrophenyl)acetamide

C18H17N3O3 — CID 98192372

IUPACN-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1\CCCc2ccccc21
InChIInChI=1S/C18H17N3O3/c22-18(12-13-8-10-15(11-9-13)21(23)24)20-19-17-7-3-5-14-4-1-2-6-16(14)17/h1-2,4,6,8-11H,3,5,7,12H2,(H,20,22)/b19-17+
InChIKeyWBYIGLJQTYLLEX-HTXNQAPBSA-N
MW323.35 g/mol
LogP2.99
Rot. Bonds4

About N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(4-nitrophenyl)acetamide

N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(4-nitrophenyl)acetamide (PubChem CID 98192372) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(4-nitrophenyl)acetamide
PubChem CID98192372
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1\CCCc2ccccc21
InChIInChI=1S/C18H17N3O3/c22-18(12-13-8-10-15(11-9-13)21(23)24)20-19-17-7-3-5-14-4-1-2-6-16(14)17/h1-2,4,6,8-11H,3,5,7,12H2,(H,20,22)/b19-17+
InChIKeyWBYIGLJQTYLLEX-HTXNQAPBSA-N
XLogP2.99
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-phenylacetamide
CID 5395791
2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide
CID 3419131
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2,4-dinitroaniline
CID 5379027
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]hexanamide
CID 6031534
N-[(E)-[3-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-2-(4-nitrophenyl)acetamide
CID 19158958
N-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide
CID 6384080
N-[(E)-[2-(anilinocarbamoyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-2-(4-nitrophenyl)acetamide
CID 19158986
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]octanamide
CID 6297520
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)heptanamide
CID 4097852
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4040678
(4E)-N-(2-fluorophenyl)-3-methyl-4-[[2-(4-nitrophenyl)acetyl]hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19158929
(4E)-3-methyl-4-[[2-(4-nitrophenyl)acetyl]hydrazinylidene]-N-(4-phenyldiazenylphenyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 19158994

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(4-nitrophenyl)acetamide (CID 98192372) is N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C1\CCCc2ccccc21.
What is the InChIKey of N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(4-nitrophenyl)acetamide?
The InChIKey is WBYIGLJQTYLLEX-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H17N3O3/c22-18(12-13-8-10-15(11-9-13)21(23)24)20-19-17-7-3-5-14-4-1-2-6-16(14)17/h1-2,4,6,8-11H,3,5,7,12H2,(H,20,22)/b19-17+.
What are the key properties of N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(4-nitrophenyl)acetamide?
N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(4-nitrophenyl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 98192372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).