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

C22H20N2O — CID 6003090

IUPACN-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)N/N=C1\CCCc2ccccc21
InChIInChI=1S/C22H20N2O/c25-22(15-18-11-5-9-16-7-1-3-12-19(16)18)24-23-21-14-6-10-17-8-2-4-13-20(17)21/h1-5,7-9,11-13H,6,10,14-15H2,(H,24,25)/b23-21+
InChIKeyIUVYAJOFMODWQI-XTQSDGFTSA-N
MW328.42 g/mol
LogP4.24
Rot. Bonds3

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

N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-naphthalen-1-ylacetamide (PubChem CID 6003090) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-naphthalen-1-ylacetamide
PubChem CID6003090
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC NameN-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)N/N=C1\CCCc2ccccc21
InChIInChI=1S/C22H20N2O/c25-22(15-18-11-5-9-16-7-1-3-12-19(16)18)24-23-21-14-6-10-17-8-2-4-13-20(17)21/h1-5,7-9,11-13H,6,10,14-15H2,(H,24,25)/b23-21+
InChIKeyIUVYAJOFMODWQI-XTQSDGFTSA-N
XLogP4.24
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-naphthalen-1-ylacetamide (CID 6003090) is N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)N/N=C1\CCCc2ccccc21.
What is the InChIKey of N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-naphthalen-1-ylacetamide?
The InChIKey is IUVYAJOFMODWQI-XTQSDGFTSA-N. The full InChI is InChI=1S/C22H20N2O/c25-22(15-18-11-5-9-16-7-1-3-12-19(16)18)24-23-21-14-6-10-17-8-2-4-13-20(17)21/h1-5,7-9,11-13H,6,10,14-15H2,(H,24,25)/b23-21+.
What are the key properties of N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-naphthalen-1-ylacetamide?
N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-naphthalen-1-ylacetamide has a molecular weight of 328.42 g/mol, XLogP of 4.24, 3 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]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 6003090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).