N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)heptanamide

C17H24N2O — CID 4097852

IUPACN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)heptanamide
SMILESCCCCCCC(=O)NN=C1CCCc2ccccc21
InChIInChI=1S/C17H24N2O/c1-2-3-4-5-13-17(20)19-18-16-12-8-10-14-9-6-7-11-15(14)16/h6-7,9,11H,2-5,8,10,12-13H2,1H3,(H,19,20)
InChIKeyRTKAINUPXMBVMW-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.81
Rot. Bonds6

About N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)heptanamide

N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)heptanamide (PubChem CID 4097852) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)heptanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)heptanamide
PubChem CID4097852
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(3,4-dihydro-2H-naphthalen-1-ylideneamino)heptanamide
SMILESCCCCCCC(=O)NN=C1CCCc2ccccc21
InChIInChI=1S/C17H24N2O/c1-2-3-4-5-13-17(20)19-18-16-12-8-10-14-9-6-7-11-15(14)16/h6-7,9,11H,2-5,8,10,12-13H2,1H3,(H,19,20)
InChIKeyRTKAINUPXMBVMW-UHFFFAOYSA-N
XLogP3.81
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.81
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-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]octanamide
CID 6297520
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]hexanamide
CID 6031534
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-(cyclododecylideneamino)dodecanamide
CID 4575376
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 922588
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-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)heptanamide?
The IUPAC name of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)heptanamide (CID 4097852) is N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)heptanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)heptanamide?
The canonical SMILES for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)heptanamide is CCCCCCC(=O)NN=C1CCCc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)heptanamide?
The InChIKey is RTKAINUPXMBVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-3-4-5-13-17(20)19-18-16-12-8-10-14-9-6-7-11-15(14)16/h6-7,9,11H,2-5,8,10,12-13H2,1H3,(H,19,20).
What are the key properties of N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)heptanamide?
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)heptanamide has a molecular weight of 272.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)heptanamide is sourced from PubChem (CID 4097852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).