(NE)-N-[(E)-3-phenyl-1-(2,4,6-trimethoxyphenyl)prop-2-enylidene]hydroxylamine

C18H19NO4 — CID 10267571

IUPAC(NE)-N-[(E)-3-phenyl-1-(2,4,6-trimethoxyphenyl)prop-2-enylidene]hydroxylamine
SMILESCOc1cc(OC)c(C(/C=C/c2ccccc2)=N/O)c(OC)c1
InChIInChI=1S/C18H19NO4/c1-21-14-11-16(22-2)18(17(12-14)23-3)15(19-20)10-9-13-7-5-4-6-8-13/h4-12,20H,1-3H3/b10-9+,19-15+
InChIKeyHFJHRJWLLBRESM-DJKNXTBSSA-N
MW313.35 g/mol
LogP3.60
Rot. Bonds6

About (NE)-N-[(E)-3-phenyl-1-(2,4,6-trimethoxyphenyl)prop-2-enylidene]hydroxylamine

(NE)-N-[(E)-3-phenyl-1-(2,4,6-trimethoxyphenyl)prop-2-enylidene]hydroxylamine (PubChem CID 10267571) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (NE)-N-[(E)-3-phenyl-1-(2,4,6-trimethoxyphenyl)prop-2-enylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(E)-3-phenyl-1-(2,4,6-trimethoxyphenyl)prop-2-enylidene]hydroxylamine
PubChem CID10267571
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(NE)-N-[(E)-3-phenyl-1-(2,4,6-trimethoxyphenyl)prop-2-enylidene]hydroxylamine
SMILESCOc1cc(OC)c(C(/C=C/c2ccccc2)=N/O)c(OC)c1
InChIInChI=1S/C18H19NO4/c1-21-14-11-16(22-2)18(17(12-14)23-3)15(19-20)10-9-13-7-5-4-6-8-13/h4-12,20H,1-3H3/b10-9+,19-15+
InChIKeyHFJHRJWLLBRESM-DJKNXTBSSA-N
XLogP3.60
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 (NE)-N-[(E)-3-phenyl-1-(2,4,6-trimethoxyphenyl)prop-2-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(E)-3-phenyl-1-(2,4,6-trimethoxyphenyl)prop-2-enylidene]hydroxylamine (CID 10267571) is (NE)-N-[(E)-3-phenyl-1-(2,4,6-trimethoxyphenyl)prop-2-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(E)-3-phenyl-1-(2,4,6-trimethoxyphenyl)prop-2-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(E)-3-phenyl-1-(2,4,6-trimethoxyphenyl)prop-2-enylidene]hydroxylamine is COc1cc(OC)c(C(/C=C/c2ccccc2)=N/O)c(OC)c1.
What is the InChIKey of (NE)-N-[(E)-3-phenyl-1-(2,4,6-trimethoxyphenyl)prop-2-enylidene]hydroxylamine?
The InChIKey is HFJHRJWLLBRESM-DJKNXTBSSA-N. The full InChI is InChI=1S/C18H19NO4/c1-21-14-11-16(22-2)18(17(12-14)23-3)15(19-20)10-9-13-7-5-4-6-8-13/h4-12,20H,1-3H3/b10-9+,19-15+.
What are the key properties of (NE)-N-[(E)-3-phenyl-1-(2,4,6-trimethoxyphenyl)prop-2-enylidene]hydroxylamine?
(NE)-N-[(E)-3-phenyl-1-(2,4,6-trimethoxyphenyl)prop-2-enylidene]hydroxylamine has a molecular weight of 313.35 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(E)-3-phenyl-1-(2,4,6-trimethoxyphenyl)prop-2-enylidene]hydroxylamine is sourced from PubChem (CID 10267571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).