(E)-3-[(E)-1-naphthalen-2-ylethylideneamino]oxy-1,3-diphenylprop-2-en-1-one

C27H21NO2 — CID 177400988

IUPAC(E)-3-[(E)-1-naphthalen-2-ylethylideneamino]oxy-1,3-diphenylprop-2-en-1-one
SMILESC/C(=N\O/C(=C/C(=O)c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C27H21NO2/c1-20(24-17-16-21-10-8-9-15-25(21)18-24)28-30-27(23-13-6-3-7-14-23)19-26(29)22-11-4-2-5-12-22/h2-19H,1H3/b27-19+,28-20+
InChIKeyIMHJVJTYMXWUBR-MKYUKRCKSA-N
MW391.47 g/mol
LogP6.50
Rot. Bonds6

About (E)-3-[(E)-1-naphthalen-2-ylethylideneamino]oxy-1,3-diphenylprop-2-en-1-one

(E)-3-[(E)-1-naphthalen-2-ylethylideneamino]oxy-1,3-diphenylprop-2-en-1-one (PubChem CID 177400988) has the molecular formula C27H21NO2 and a molecular weight of 391.47 g/mol. Its IUPAC name is (E)-3-[(E)-1-naphthalen-2-ylethylideneamino]oxy-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[(E)-1-naphthalen-2-ylethylideneamino]oxy-1,3-diphenylprop-2-en-1-one
PubChem CID177400988
Molecular FormulaC27H21NO2
Molecular Weight391.47 g/mol
Exact Mass391.16
IUPAC Name(E)-3-[(E)-1-naphthalen-2-ylethylideneamino]oxy-1,3-diphenylprop-2-en-1-one
SMILESC/C(=N\O/C(=C/C(=O)c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C27H21NO2/c1-20(24-17-16-21-10-8-9-15-25(21)18-24)28-30-27(23-13-6-3-7-14-23)19-26(29)22-11-4-2-5-12-22/h2-19H,1H3/b27-19+,28-20+
InChIKeyIMHJVJTYMXWUBR-MKYUKRCKSA-N
XLogP6.50
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-1-naphthalen-2-ylethylideneamino] benzoate
CID 18602824
(1-naphthalen-2-ylethylideneamino) acetate
CID 54130886
(1-phenylethylideneamino) naphthalene-2-carboxylate
CID 76708666
[(E)-1-naphthalen-2-ylethylideneamino] 2-phenylacetate
CID 88860851
(Z)-3-amino-3-naphthalen-2-yl-1-phenylprop-2-en-1-one
CID 170551701
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
(Z)-3-phenoxy-1,3-diphenylprop-2-en-1-one
CID 13085906
N-[(E)-3-oxo-1,3-diphenylprop-1-enyl]naphthalene-2-carboxamide
CID 5377898
[(E)-1-phenylethylideneamino] acetate
CID 5392489
N-[(Z)-4-naphthalen-2-yl-4-oxobut-2-en-2-yl]acetamide
CID 101486753
dinaphthalen-2-ylmethanone
CID 10945915
3-naphthalen-2-yl-3-phenylprop-2-enoic acid
CID 54114059

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(E)-1-naphthalen-2-ylethylideneamino]oxy-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (E)-3-[(E)-1-naphthalen-2-ylethylideneamino]oxy-1,3-diphenylprop-2-en-1-one (CID 177400988) is (E)-3-[(E)-1-naphthalen-2-ylethylideneamino]oxy-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (E)-3-[(E)-1-naphthalen-2-ylethylideneamino]oxy-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (E)-3-[(E)-1-naphthalen-2-ylethylideneamino]oxy-1,3-diphenylprop-2-en-1-one is C/C(=N\O/C(=C/C(=O)c1ccccc1)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of (E)-3-[(E)-1-naphthalen-2-ylethylideneamino]oxy-1,3-diphenylprop-2-en-1-one?
The InChIKey is IMHJVJTYMXWUBR-MKYUKRCKSA-N. The full InChI is InChI=1S/C27H21NO2/c1-20(24-17-16-21-10-8-9-15-25(21)18-24)28-30-27(23-13-6-3-7-14-23)19-26(29)22-11-4-2-5-12-22/h2-19H,1H3/b27-19+,28-20+.
What are the key properties of (E)-3-[(E)-1-naphthalen-2-ylethylideneamino]oxy-1,3-diphenylprop-2-en-1-one?
(E)-3-[(E)-1-naphthalen-2-ylethylideneamino]oxy-1,3-diphenylprop-2-en-1-one has a molecular weight of 391.47 g/mol, XLogP of 6.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(E)-1-naphthalen-2-ylethylideneamino]oxy-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 177400988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).