4-hydroxy-3-methoxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide

C20H18N2O4 — CID 10882636

IUPAC4-hydroxy-3-methoxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCOc1cc(C(=O)N/N=C/c2ccc(OC)c3ccccc23)ccc1O
InChIInChI=1S/C20H18N2O4/c1-25-18-10-8-14(15-5-3-4-6-16(15)18)12-21-22-20(24)13-7-9-17(23)19(11-13)26-2/h3-12,23H,1-2H3,(H,22,24)/b21-12+
InChIKeyMQVSQHUQOOXBBV-CIAFOILYSA-N
MW350.37 g/mol
LogP3.33
Rot. Bonds5

About 4-hydroxy-3-methoxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide

4-hydroxy-3-methoxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 10882636) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 4-hydroxy-3-methoxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methoxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
PubChem CID10882636
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name4-hydroxy-3-methoxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
SMILESCOc1cc(C(=O)N/N=C/c2ccc(OC)c3ccccc23)ccc1O
InChIInChI=1S/C20H18N2O4/c1-25-18-10-8-14(15-5-3-4-6-16(15)18)12-21-22-20(24)13-7-9-17(23)19(11-13)26-2/h3-12,23H,1-2H3,(H,22,24)/b21-12+
InChIKeyMQVSQHUQOOXBBV-CIAFOILYSA-N
XLogP3.33
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 4-hydroxy-3-methoxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide?
The IUPAC name of 4-hydroxy-3-methoxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide (CID 10882636) is 4-hydroxy-3-methoxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-3-methoxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-3-methoxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide is COc1cc(C(=O)N/N=C/c2ccc(OC)c3ccccc23)ccc1O.
What is the InChIKey of 4-hydroxy-3-methoxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide?
The InChIKey is MQVSQHUQOOXBBV-CIAFOILYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-25-18-10-8-14(15-5-3-4-6-16(15)18)12-21-22-20(24)13-7-9-17(23)19(11-13)26-2/h3-12,23H,1-2H3,(H,22,24)/b21-12+.
What are the key properties of 4-hydroxy-3-methoxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide?
4-hydroxy-3-methoxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 350.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 10882636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).