(NZ)-N-[(5Z)-1,5-bis(4-hexoxyphenyl)-5-hydroxyiminopentylidene]hydroxylamine

C29H42N2O4 — CID 24840928

IUPAC(NZ)-N-[(5Z)-1,5-bis(4-hexoxyphenyl)-5-hydroxyiminopentylidene]hydroxylamine
SMILESCCCCCCOc1ccc(/C(CCC/C(=N/O)c2ccc(OCCCCCC)cc2)=N\O)cc1
InChIInChI=1S/C29H42N2O4/c1-3-5-7-9-22-34-26-18-14-24(15-19-26)28(30-32)12-11-13-29(31-33)25-16-20-27(21-17-25)35-23-10-8-6-4-2/h14-21,32-33H,3-13,22-23H2,1-2H3/b30-28-,31-29-
InChIKeyXBKWCUGGYSPRAN-BRMDCIMDSA-N
MW482.67 g/mol
LogP7.83
Rot. Bonds18

About (NZ)-N-[(5Z)-1,5-bis(4-hexoxyphenyl)-5-hydroxyiminopentylidene]hydroxylamine

(NZ)-N-[(5Z)-1,5-bis(4-hexoxyphenyl)-5-hydroxyiminopentylidene]hydroxylamine (PubChem CID 24840928) has the molecular formula C29H42N2O4 and a molecular weight of 482.67 g/mol. Its IUPAC name is (NZ)-N-[(5Z)-1,5-bis(4-hexoxyphenyl)-5-hydroxyiminopentylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(5Z)-1,5-bis(4-hexoxyphenyl)-5-hydroxyiminopentylidene]hydroxylamine
PubChem CID24840928
Molecular FormulaC29H42N2O4
Molecular Weight482.67 g/mol
Exact Mass482.31
IUPAC Name(NZ)-N-[(5Z)-1,5-bis(4-hexoxyphenyl)-5-hydroxyiminopentylidene]hydroxylamine
SMILESCCCCCCOc1ccc(/C(CCC/C(=N/O)c2ccc(OCCCCCC)cc2)=N\O)cc1
InChIInChI=1S/C29H42N2O4/c1-3-5-7-9-22-34-26-18-14-24(15-19-26)28(30-32)12-11-13-29(31-33)25-16-20-27(21-17-25)35-23-10-8-6-4-2/h14-21,32-33H,3-13,22-23H2,1-2H3/b30-28-,31-29-
InChIKeyXBKWCUGGYSPRAN-BRMDCIMDSA-N
XLogP7.83
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.67
LogP ≤ 57.83
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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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(5Z)-1,5-bis(4-hexoxyphenyl)-5-hydroxyiminopentylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(5Z)-1,5-bis(4-hexoxyphenyl)-5-hydroxyiminopentylidene]hydroxylamine (CID 24840928) is (NZ)-N-[(5Z)-1,5-bis(4-hexoxyphenyl)-5-hydroxyiminopentylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(5Z)-1,5-bis(4-hexoxyphenyl)-5-hydroxyiminopentylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(5Z)-1,5-bis(4-hexoxyphenyl)-5-hydroxyiminopentylidene]hydroxylamine is CCCCCCOc1ccc(/C(CCC/C(=N/O)c2ccc(OCCCCCC)cc2)=N\O)cc1.
What is the InChIKey of (NZ)-N-[(5Z)-1,5-bis(4-hexoxyphenyl)-5-hydroxyiminopentylidene]hydroxylamine?
The InChIKey is XBKWCUGGYSPRAN-BRMDCIMDSA-N. The full InChI is InChI=1S/C29H42N2O4/c1-3-5-7-9-22-34-26-18-14-24(15-19-26)28(30-32)12-11-13-29(31-33)25-16-20-27(21-17-25)35-23-10-8-6-4-2/h14-21,32-33H,3-13,22-23H2,1-2H3/b30-28-,31-29-.
What are the key properties of (NZ)-N-[(5Z)-1,5-bis(4-hexoxyphenyl)-5-hydroxyiminopentylidene]hydroxylamine?
(NZ)-N-[(5Z)-1,5-bis(4-hexoxyphenyl)-5-hydroxyiminopentylidene]hydroxylamine has a molecular weight of 482.67 g/mol, XLogP of 7.83, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(5Z)-1,5-bis(4-hexoxyphenyl)-5-hydroxyiminopentylidene]hydroxylamine is sourced from PubChem (CID 24840928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).