N-[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]-4-hydroxybenzamide

C25H34N2O4 — CID 110509384

IUPACN-[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]-4-hydroxybenzamide
SMILESCCCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(O)cc2)cc1OCC
InChIInChI=1S/C25H34N2O4/c1-3-5-6-7-8-9-10-17-31-23-16-11-20(18-24(23)30-4-2)19-26-27-25(29)21-12-14-22(28)15-13-21/h11-16,18-19,28H,3-10,17H2,1-2H3,(H,27,29)/b26-19-
InChIKeyMZVITPAJJYPNHV-XHPQRKPJSA-N
MW426.56 g/mol
LogP5.68
Rot. Bonds14

About N-[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]-4-hydroxybenzamide

N-[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]-4-hydroxybenzamide (PubChem CID 110509384) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]-4-hydroxybenzamide
PubChem CID110509384
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC NameN-[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]-4-hydroxybenzamide
SMILESCCCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(O)cc2)cc1OCC
InChIInChI=1S/C25H34N2O4/c1-3-5-6-7-8-9-10-17-31-23-16-11-20(18-24(23)30-4-2)19-26-27-25(29)21-12-14-22(28)15-13-21/h11-16,18-19,28H,3-10,17H2,1-2H3,(H,27,29)/b26-19-
InChIKeyMZVITPAJJYPNHV-XHPQRKPJSA-N
XLogP5.68
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 110506641
4-ethoxy-N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]benzamide
CID 17373127
[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110535880
4-amino-N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]benzamide
CID 9071275
N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 112537989
[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea
CID 112538734
3-ethoxy-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 126324922
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126326152
4-butyl-N-[(E)-(3-methoxy-4-octoxyphenyl)methylideneamino]benzamide
CID 124551504
3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 137068274
N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-hydroxybenzamide
CID 110509381
2-amino-N-[(E)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]benzamide
CID 110339969

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]-4-hydroxybenzamide (CID 110509384) is N-[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]-4-hydroxybenzamide is CCCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(O)cc2)cc1OCC.
What is the InChIKey of N-[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]-4-hydroxybenzamide?
The InChIKey is MZVITPAJJYPNHV-XHPQRKPJSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-3-5-6-7-8-9-10-17-31-23-16-11-20(18-24(23)30-4-2)19-26-27-25(29)21-12-14-22(28)15-13-21/h11-16,18-19,28H,3-10,17H2,1-2H3,(H,27,29)/b26-19-.
What are the key properties of N-[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]-4-hydroxybenzamide?
N-[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]-4-hydroxybenzamide has a molecular weight of 426.56 g/mol, XLogP of 5.68, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 110509384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).