(NZ)-N-[(7Z)-1,7-bis(4-hexoxyphenyl)-7-hydroxyiminoheptylidene]hydroxylamine

C31H46N2O4 — CID 24838599

IUPAC(NZ)-N-[(7Z)-1,7-bis(4-hexoxyphenyl)-7-hydroxyiminoheptylidene]hydroxylamine
SMILESCCCCCCOc1ccc(/C(CCCCC/C(=N/O)c2ccc(OCCCCCC)cc2)=N\O)cc1
InChIInChI=1S/C31H46N2O4/c1-3-5-7-12-24-36-28-20-16-26(17-21-28)30(32-34)14-10-9-11-15-31(33-35)27-18-22-29(23-19-27)37-25-13-8-6-4-2/h16-23,34-35H,3-15,24-25H2,1-2H3/b32-30-,33-31-
InChIKeyFGPLZFKYAPGZHY-UOALMSBLSA-N
MW510.72 g/mol
LogP8.61
Rot. Bonds20

About (NZ)-N-[(7Z)-1,7-bis(4-hexoxyphenyl)-7-hydroxyiminoheptylidene]hydroxylamine

(NZ)-N-[(7Z)-1,7-bis(4-hexoxyphenyl)-7-hydroxyiminoheptylidene]hydroxylamine (PubChem CID 24838599) has the molecular formula C31H46N2O4 and a molecular weight of 510.72 g/mol. Its IUPAC name is (NZ)-N-[(7Z)-1,7-bis(4-hexoxyphenyl)-7-hydroxyiminoheptylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(7Z)-1,7-bis(4-hexoxyphenyl)-7-hydroxyiminoheptylidene]hydroxylamine
PubChem CID24838599
Molecular FormulaC31H46N2O4
Molecular Weight510.72 g/mol
Exact Mass510.35
IUPAC Name(NZ)-N-[(7Z)-1,7-bis(4-hexoxyphenyl)-7-hydroxyiminoheptylidene]hydroxylamine
SMILESCCCCCCOc1ccc(/C(CCCCC/C(=N/O)c2ccc(OCCCCCC)cc2)=N\O)cc1
InChIInChI=1S/C31H46N2O4/c1-3-5-7-12-24-36-28-20-16-26(17-21-28)30(32-34)14-10-9-11-15-31(33-35)27-18-22-29(23-19-27)37-25-13-8-6-4-2/h16-23,34-35H,3-15,24-25H2,1-2H3/b32-30-,33-31-
InChIKeyFGPLZFKYAPGZHY-UOALMSBLSA-N
XLogP8.61
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.72
LogP ≤ 58.61
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
(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
1-(-1-(4-Methoxyphenyl)-3-phenylallylidene) thiosemicarbazide (18)
CID 91899668

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(7Z)-1,7-bis(4-hexoxyphenyl)-7-hydroxyiminoheptylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(7Z)-1,7-bis(4-hexoxyphenyl)-7-hydroxyiminoheptylidene]hydroxylamine (CID 24838599) is (NZ)-N-[(7Z)-1,7-bis(4-hexoxyphenyl)-7-hydroxyiminoheptylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(7Z)-1,7-bis(4-hexoxyphenyl)-7-hydroxyiminoheptylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(7Z)-1,7-bis(4-hexoxyphenyl)-7-hydroxyiminoheptylidene]hydroxylamine is CCCCCCOc1ccc(/C(CCCCC/C(=N/O)c2ccc(OCCCCCC)cc2)=N\O)cc1.
What is the InChIKey of (NZ)-N-[(7Z)-1,7-bis(4-hexoxyphenyl)-7-hydroxyiminoheptylidene]hydroxylamine?
The InChIKey is FGPLZFKYAPGZHY-UOALMSBLSA-N. The full InChI is InChI=1S/C31H46N2O4/c1-3-5-7-12-24-36-28-20-16-26(17-21-28)30(32-34)14-10-9-11-15-31(33-35)27-18-22-29(23-19-27)37-25-13-8-6-4-2/h16-23,34-35H,3-15,24-25H2,1-2H3/b32-30-,33-31-.
What are the key properties of (NZ)-N-[(7Z)-1,7-bis(4-hexoxyphenyl)-7-hydroxyiminoheptylidene]hydroxylamine?
(NZ)-N-[(7Z)-1,7-bis(4-hexoxyphenyl)-7-hydroxyiminoheptylidene]hydroxylamine has a molecular weight of 510.72 g/mol, XLogP of 8.61, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(7Z)-1,7-bis(4-hexoxyphenyl)-7-hydroxyiminoheptylidene]hydroxylamine is sourced from PubChem (CID 24838599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).