N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]hexanamide

C16H22N2O — CID 6031534

IUPACN-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]hexanamide
SMILESCCCCCC(=O)N/N=C1/CCCc2ccccc21
InChIInChI=1S/C16H22N2O/c1-2-3-4-12-16(19)18-17-15-11-7-9-13-8-5-6-10-14(13)15/h5-6,8,10H,2-4,7,9,11-12H2,1H3,(H,18,19)/b17-15-
InChIKeyKDOJDEMLNCYKDY-ICFOKQHNSA-N
MW258.36 g/mol
LogP3.42
Rot. Bonds5

About N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]hexanamide

N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]hexanamide (PubChem CID 6031534) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]hexanamide.

Molecular Properties

Compound NameN-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]hexanamide
PubChem CID6031534
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]hexanamide
SMILESCCCCCC(=O)N/N=C1/CCCc2ccccc21
InChIInChI=1S/C16H22N2O/c1-2-3-4-12-16(19)18-17-15-11-7-9-13-8-5-6-10-14(13)15/h5-6,8,10H,2-4,7,9,11-12H2,1H3,(H,18,19)/b17-15-
InChIKeyKDOJDEMLNCYKDY-ICFOKQHNSA-N
XLogP3.42
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)heptanamide
CID 4097852
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]octanamide
CID 6297520
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-phenylacetamide
CID 5395791
N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-(2-methoxyanilino)acetamide
CID 6071350
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 922588
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4040678
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-naphthalen-2-yloxyacetamide
CID 968751
2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide
CID 3419131
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide
CID 4999116
2-(4-bromo-3-methylphenoxy)-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]acetamide
CID 6528002
N-(cyclododecylideneamino)dodecanamide
CID 4575376
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]acetamide
CID 8879349

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]hexanamide?
The IUPAC name of N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]hexanamide (CID 6031534) is N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]hexanamide.
What is the SMILES notation for N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]hexanamide?
The canonical SMILES for N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]hexanamide is CCCCCC(=O)N/N=C1/CCCc2ccccc21.
What is the InChIKey of N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]hexanamide?
The InChIKey is KDOJDEMLNCYKDY-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-3-4-12-16(19)18-17-15-11-7-9-13-8-5-6-10-14(13)15/h5-6,8,10H,2-4,7,9,11-12H2,1H3,(H,18,19)/b17-15-.
What are the key properties of N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]hexanamide?
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]hexanamide has a molecular weight of 258.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]hexanamide is sourced from PubChem (CID 6031534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).