(NZ)-N-[(6Z)-1,6-bis(4-hexoxyphenyl)-6-hydroxyiminohexylidene]hydroxylamine

C30H44N2O4 — CID 6372062

IUPAC(NZ)-N-[(6Z)-1,6-bis(4-hexoxyphenyl)-6-hydroxyiminohexylidene]hydroxylamine
SMILESCCCCCCOc1ccc(/C(CCCC/C(=N/O)c2ccc(OCCCCCC)cc2)=N\O)cc1
InChIInChI=1S/C30H44N2O4/c1-3-5-7-11-23-35-27-19-15-25(16-20-27)29(31-33)13-9-10-14-30(32-34)26-17-21-28(22-18-26)36-24-12-8-6-4-2/h15-22,33-34H,3-14,23-24H2,1-2H3/b31-29-,32-30-
InChIKeyITWDOTQLTOQBMZ-SZDCHMHBSA-N
MW496.69 g/mol
LogP8.22
Rot. Bonds19

About (NZ)-N-[(6Z)-1,6-bis(4-hexoxyphenyl)-6-hydroxyiminohexylidene]hydroxylamine

(NZ)-N-[(6Z)-1,6-bis(4-hexoxyphenyl)-6-hydroxyiminohexylidene]hydroxylamine (PubChem CID 6372062) has the molecular formula C30H44N2O4 and a molecular weight of 496.69 g/mol. Its IUPAC name is (NZ)-N-[(6Z)-1,6-bis(4-hexoxyphenyl)-6-hydroxyiminohexylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(6Z)-1,6-bis(4-hexoxyphenyl)-6-hydroxyiminohexylidene]hydroxylamine
PubChem CID6372062
Molecular FormulaC30H44N2O4
Molecular Weight496.69 g/mol
Exact Mass496.33
IUPAC Name(NZ)-N-[(6Z)-1,6-bis(4-hexoxyphenyl)-6-hydroxyiminohexylidene]hydroxylamine
SMILESCCCCCCOc1ccc(/C(CCCC/C(=N/O)c2ccc(OCCCCCC)cc2)=N\O)cc1
InChIInChI=1S/C30H44N2O4/c1-3-5-7-11-23-35-27-19-15-25(16-20-27)29(31-33)13-9-10-14-30(32-34)26-17-21-28(22-18-26)36-24-12-8-6-4-2/h15-22,33-34H,3-14,23-24H2,1-2H3/b31-29-,32-30-
InChIKeyITWDOTQLTOQBMZ-SZDCHMHBSA-N
XLogP8.22
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.69
LogP ≤ 58.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Related Compounds

CID 5331696
CID 5331696
CID 5331442
CID 5331442
CID 5397262
CID 5397262
CID 26433643
CID 26433643
CID 71561706
CID 71561706
CID 71561710
CID 71561710
CID 59544955
CID 59544955
CID 259399
CID 259399
CID 5355943
CID 5355943
CID 9673039
CID 9673039
CID 11229314
CID 11229314
CID 91899668
CID 91899668

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(6Z)-1,6-bis(4-hexoxyphenyl)-6-hydroxyiminohexylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(6Z)-1,6-bis(4-hexoxyphenyl)-6-hydroxyiminohexylidene]hydroxylamine (CID 6372062) is (NZ)-N-[(6Z)-1,6-bis(4-hexoxyphenyl)-6-hydroxyiminohexylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(6Z)-1,6-bis(4-hexoxyphenyl)-6-hydroxyiminohexylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(6Z)-1,6-bis(4-hexoxyphenyl)-6-hydroxyiminohexylidene]hydroxylamine is CCCCCCOc1ccc(/C(CCCC/C(=N/O)c2ccc(OCCCCCC)cc2)=N\O)cc1.
What is the InChIKey of (NZ)-N-[(6Z)-1,6-bis(4-hexoxyphenyl)-6-hydroxyiminohexylidene]hydroxylamine?
The InChIKey is ITWDOTQLTOQBMZ-SZDCHMHBSA-N. The full InChI is InChI=1S/C30H44N2O4/c1-3-5-7-11-23-35-27-19-15-25(16-20-27)29(31-33)13-9-10-14-30(32-34)26-17-21-28(22-18-26)36-24-12-8-6-4-2/h15-22,33-34H,3-14,23-24H2,1-2H3/b31-29-,32-30-.
What are the key properties of (NZ)-N-[(6Z)-1,6-bis(4-hexoxyphenyl)-6-hydroxyiminohexylidene]hydroxylamine?
(NZ)-N-[(6Z)-1,6-bis(4-hexoxyphenyl)-6-hydroxyiminohexylidene]hydroxylamine has a molecular weight of 496.69 g/mol, XLogP of 8.22, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(6Z)-1,6-bis(4-hexoxyphenyl)-6-hydroxyiminohexylidene]hydroxylamine is sourced from PubChem (CID 6372062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).