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

C17H24N2O — CID 6009298

IUPACN-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]heptanamide
SMILESCCCCCCC(=O)N/N=C1\CCCc2ccccc21
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)/b18-16+
InChIKeyRTKAINUPXMBVMW-FBMGVBCBSA-N
MW272.39 g/mol
LogP3.81
Rot. Bonds6

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

N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]heptanamide (PubChem CID 6009298) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]heptanamide.

Molecular Properties

Compound NameN-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]heptanamide
PubChem CID6009298
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]heptanamide
SMILESCCCCCCC(=O)N/N=C1\CCCc2ccccc21
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)/b18-16+
InChIKeyRTKAINUPXMBVMW-FBMGVBCBSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]heptanamide?
The IUPAC name of N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]heptanamide (CID 6009298) is N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]heptanamide.
What is the SMILES notation for N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]heptanamide?
The canonical SMILES for N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]heptanamide is CCCCCCC(=O)N/N=C1\CCCc2ccccc21.
What is the InChIKey of N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]heptanamide?
The InChIKey is RTKAINUPXMBVMW-FBMGVBCBSA-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)/b18-16+.
What are the key properties of N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]heptanamide?
N-[(E)-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-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]heptanamide is sourced from PubChem (CID 6009298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).