(NE)-N-[(10E)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine

C34H52N2O4 — CID 5362368

IUPAC(NE)-N-[(10E)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine
SMILESCCCCCCOc1ccc(/C(CCCCCCCC/C(=N\O)c2ccc(OCCCCCC)cc2)=N/O)cc1
InChIInChI=1S/C34H52N2O4/c1-3-5-7-15-27-39-31-23-19-29(20-24-31)33(35-37)17-13-11-9-10-12-14-18-34(36-38)30-21-25-32(26-22-30)40-28-16-8-6-4-2/h19-26,37-38H,3-18,27-28H2,1-2H3/b35-33+,36-34+
InChIKeyBWAPCYTWDFJIQW-LBYUQGKWSA-N
MW552.80 g/mol
LogP9.78
Rot. Bonds23

About (NE)-N-[(10E)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine

(NE)-N-[(10E)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine (PubChem CID 5362368) has the molecular formula C34H52N2O4 and a molecular weight of 552.80 g/mol. Its IUPAC name is (NE)-N-[(10E)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(10E)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine
PubChem CID5362368
Molecular FormulaC34H52N2O4
Molecular Weight552.80 g/mol
Exact Mass552.39
IUPAC Name(NE)-N-[(10E)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine
SMILESCCCCCCOc1ccc(/C(CCCCCCCC/C(=N\O)c2ccc(OCCCCCC)cc2)=N/O)cc1
InChIInChI=1S/C34H52N2O4/c1-3-5-7-15-27-39-31-23-19-29(20-24-31)33(35-37)17-13-11-9-10-12-14-18-34(36-38)30-21-25-32(26-22-30)40-28-16-8-6-4-2/h19-26,37-38H,3-18,27-28H2,1-2H3/b35-33+,36-34+
InChIKeyBWAPCYTWDFJIQW-LBYUQGKWSA-N
XLogP9.78
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.80
LogP ≤ 59.78
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

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N-[1-(3-butoxyphenyl)tetradecylidene]hydroxylamine
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4-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]phenol
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(NE)-N-(1-phenyldodecylidene)hydroxylamine
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CID 6283340
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CID 177402609
N-[1-(1-methylpyridin-1-ium-4-yl)tridecylidene]hydroxylamine
CID 136913036
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
(NZ)-N-[(4-methoxyphenyl)-(4-octoxyphenyl)methylidene]hydroxylamine
CID 6087643
5-butoxy-2-(N-hydroxy-C-tridecylcarbonimidoyl)phenol
CID 4282509

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(10E)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(10E)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine (CID 5362368) is (NE)-N-[(10E)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(10E)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(10E)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine is CCCCCCOc1ccc(/C(CCCCCCCC/C(=N\O)c2ccc(OCCCCCC)cc2)=N/O)cc1.
What is the InChIKey of (NE)-N-[(10E)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine?
The InChIKey is BWAPCYTWDFJIQW-LBYUQGKWSA-N. The full InChI is InChI=1S/C34H52N2O4/c1-3-5-7-15-27-39-31-23-19-29(20-24-31)33(35-37)17-13-11-9-10-12-14-18-34(36-38)30-21-25-32(26-22-30)40-28-16-8-6-4-2/h19-26,37-38H,3-18,27-28H2,1-2H3/b35-33+,36-34+.
What are the key properties of (NE)-N-[(10E)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine?
(NE)-N-[(10E)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine has a molecular weight of 552.80 g/mol, XLogP of 9.78, 23 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(10E)-1,10-bis(4-hexoxyphenyl)-10-hydroxyiminodecylidene]hydroxylamine is sourced from PubChem (CID 5362368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).