(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

1-(3-Methoxyphenyl)ethanone [1-(3-methoxyphenyl)ethylidene]hydrazone
CID 5331696
4-(Benzyloxy)benzaldehyde oxime
CID 5331442
N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine
CID 5397262
1-(2-Methoxyphenyl)ethan-1-one oxime
CID 9601268
(5R)-5-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 26433643
(5R)-5-benzyl-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71561706
(5R)-5-benzyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71561710
5-benzyl-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole
CID 59544955
[Bis(4-methoxyphenyl)methylidene]hydrazine
CID 259399
1-(4-Methoxyphenyl)ethanone oxime
CID 5355943
Chroman-4-one oxime
CID 9673039
N-[4-(4-methoxyphenyl)butan-2-ylidene]hydroxylamine
CID 11229314

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).