(2R)-2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-phenylacetamide

C16H16N2O3 — CID 136912785

IUPAC(2R)-2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-phenylacetamide
SMILESCc1ccc(/C=N\NC(=O)[C@H](O)c2ccccc2)c(O)c1
InChIInChI=1S/C16H16N2O3/c1-11-7-8-13(14(19)9-11)10-17-18-16(21)15(20)12-5-3-2-4-6-12/h2-10,15,19-20H,1H3,(H,18,21)/b17-10-/t15-/m1/s1
InChIKeyLWZMUIZEIKRGBV-DISPHTKASA-N
MW284.32 g/mol
LogP1.88
Rot. Bonds4

About (2R)-2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-phenylacetamide

(2R)-2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-phenylacetamide (PubChem CID 136912785) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-phenylacetamide
PubChem CID136912785
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name(2R)-2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-phenylacetamide
SMILESCc1ccc(/C=N\NC(=O)[C@H](O)c2ccccc2)c(O)c1
InChIInChI=1S/C16H16N2O3/c1-11-7-8-13(14(19)9-11)10-17-18-16(21)15(20)12-5-3-2-4-6-12/h2-10,15,19-20H,1H3,(H,18,21)/b17-10-/t15-/m1/s1
InChIKeyLWZMUIZEIKRGBV-DISPHTKASA-N
XLogP1.88
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.88
H-Bond Donors ≤ 53
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

(2R)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 5414506
(2R)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 135674788
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2862510
2-hydroxy-N-[(2-hydroxy-5-iodophenyl)methylideneamino]-2-phenylacetamide
CID 3909034
2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 136713953
2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide
CID 135504378
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 4618895
(2R)-N-[(E)-dimethylaminomethylideneamino]-2-hydroxy-2-phenylacetamide
CID 92856892
2-fluoro-N-[(2-hydroxy-4-methylphenyl)methylideneamino]benzamide
CID 3426419
N-[(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 2853257
(2R)-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 136914839
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 135479570

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of (2R)-2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-phenylacetamide (CID 136912785) is (2R)-2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for (2R)-2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-phenylacetamide is Cc1ccc(/C=N\NC(=O)[C@H](O)c2ccccc2)c(O)c1.
What is the InChIKey of (2R)-2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is LWZMUIZEIKRGBV-DISPHTKASA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-7-8-13(14(19)9-11)10-17-18-16(21)15(20)12-5-3-2-4-6-12/h2-10,15,19-20H,1H3,(H,18,21)/b17-10-/t15-/m1/s1.
What are the key properties of (2R)-2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-phenylacetamide?
(2R)-2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 284.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 136912785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).