N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide

C22H18N2O3 — CID 135578951

IUPACN-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide
SMILESCc1ccc(O)c(/C=N/NC(=O)C2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C22H18N2O3/c1-14-10-11-18(25)15(12-14)13-23-24-22(26)21-16-6-2-4-8-19(16)27-20-9-5-3-7-17(20)21/h2-13,21,25H,1H3,(H,24,26)/b23-13+
InChIKeyJBZRZAYWNGFWDS-YDZHTSKRSA-N
MW358.40 g/mol
LogP4.09
Rot. Bonds3

About N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide

N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide (PubChem CID 135578951) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide
PubChem CID135578951
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide
SMILESCc1ccc(O)c(/C=N/NC(=O)C2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C22H18N2O3/c1-14-10-11-18(25)15(12-14)13-23-24-22(26)21-16-6-2-4-8-19(16)27-20-9-5-3-7-17(20)21/h2-13,21,25H,1H3,(H,24,26)/b23-13+
InChIKeyJBZRZAYWNGFWDS-YDZHTSKRSA-N
XLogP4.09
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide
CID 135643720
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-9H-xanthene-9-carboxamide
CID 51653658
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135406892
2-hydroxy-N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 3317398
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2,2-dimethylpropanamide
CID 139180603
N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]pyridine-2-carboxamide
CID 136750100
N-[(E)-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]-9H-xanthene-9-carboxamide
CID 135645911
3-[5-[(E)-(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 19577680
(3S)-N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 135688081
(3S)-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 136757951
5-[(9H-xanthene-9-carbonylhydrazinylidene)methyl]furan-2-sulfonate
CID 3155195
1-[(2-hydroxy-5-methylphenyl)methylideneamino]-3-phenylthiourea
CID 137250068

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide (CID 135578951) is N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide is Cc1ccc(O)c(/C=N/NC(=O)C2c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide?
The InChIKey is JBZRZAYWNGFWDS-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-14-10-11-18(25)15(12-14)13-23-24-22(26)21-16-6-2-4-8-19(16)27-20-9-5-3-7-17(20)21/h2-13,21,25H,1H3,(H,24,26)/b23-13+.
What are the key properties of N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide?
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 135578951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).