N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-9H-xanthene-9-carboxamide

C22H18N2O4 — CID 135510990

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-9H-xanthene-9-carboxamide
SMILESCOc1cc(/C=N/NC(=O)C2c3ccccc3Oc3ccccc32)ccc1O
InChIInChI=1S/C22H18N2O4/c1-27-20-12-14(10-11-17(20)25)13-23-24-22(26)21-15-6-2-4-8-18(15)28-19-9-5-3-7-16(19)21/h2-13,21,25H,1H3,(H,24,26)/b23-13+
InChIKeyMVISFCQPDCVRRF-YDZHTSKRSA-N
MW374.40 g/mol
LogP3.79
Rot. Bonds4

About N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-9H-xanthene-9-carboxamide

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-9H-xanthene-9-carboxamide (PubChem CID 135510990) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-9H-xanthene-9-carboxamide
PubChem CID135510990
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-9H-xanthene-9-carboxamide
SMILESCOc1cc(/C=N/NC(=O)C2c3ccccc3Oc3ccccc32)ccc1O
InChIInChI=1S/C22H18N2O4/c1-27-20-12-14(10-11-17(20)25)13-23-24-22(26)21-15-6-2-4-8-18(15)28-19-9-5-3-7-16(19)21/h2-13,21,25H,1H3,(H,24,26)/b23-13+
InChIKeyMVISFCQPDCVRRF-YDZHTSKRSA-N
XLogP3.79
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

4-hydroxy-3-methoxy-N'-[(E)-(3-phenoxyphenyl)methylidene]benzohydrazide
CID 25237444
4-Hydroxy-3-methoxy-benzoic acid (4-hydroxy-naphthalen-1-ylmethylene)-hydrazide
CID 135470389
N'-(3-hydroxy-4-methoxybenzylidene)[1,1'-biphenyl]-4-carbohydrazide
CID 6868971
N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-2-hydroxy-2,2-diphenylacetohydrazide
CID 6882140
N'-(3-hydroxy-4-methoxybenzylidene)-3-phenylpropanohydrazide
CID 9556614
3-(3,4-dihydroxyphenyl)-N'-(2,5-dimethoxybenzylidene)propanohydrazide
CID 9563544
4-[(E)-{2-[(4-hydroxy-3-methoxyphenyl)carbonyl]hydrazinylidene}methyl]-2-methoxyphenyl benzoate
CID 25237271
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-4-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzamide
CID 135401237
4-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-N''-[(E)-(5-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]benzohydrazide
CID 135401294
N'-[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]-4-(4-methoxy-3-methylphenyl)butanohydrazide
CID 135420199
2-hydroxy-N'-[1-(4-hydroxy-3-methoxyphenyl)ethylidene]-2,2-diphenylacetohydrazide
CID 135426153
N'-(4-hydroxy-3-methoxybenzylidene)-3-phenylpropanohydrazide
CID 135472425

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-9H-xanthene-9-carboxamide (CID 135510990) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-9H-xanthene-9-carboxamide is COc1cc(/C=N/NC(=O)C2c3ccccc3Oc3ccccc32)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-9H-xanthene-9-carboxamide?
The InChIKey is MVISFCQPDCVRRF-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-27-20-12-14(10-11-17(20)25)13-23-24-22(26)21-15-6-2-4-8-18(15)28-19-9-5-3-7-16(19)21/h2-13,21,25H,1H3,(H,24,26)/b23-13+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-9H-xanthene-9-carboxamide?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-9H-xanthene-9-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 135510990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).