N-[(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide

C15H14N2O4 — CID 4618895

IUPACN-[(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
SMILESO=C(NN=Cc1ccc(O)c(O)c1)C(O)c1ccccc1
InChIInChI=1S/C15H14N2O4/c18-12-7-6-10(8-13(12)19)9-16-17-15(21)14(20)11-4-2-1-3-5-11/h1-9,14,18-20H,(H,17,21)
InChIKeyLJDNPVZSXRHCRX-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.28
Rot. Bonds4

About N-[(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide

N-[(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide (PubChem CID 4618895) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-[(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
PubChem CID4618895
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-[(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
SMILESO=C(NN=Cc1ccc(O)c(O)c1)C(O)c1ccccc1
InChIInChI=1S/C15H14N2O4/c18-12-7-6-10(8-13(12)19)9-16-17-15(21)14(20)11-4-2-1-3-5-11/h1-9,14,18-20H,(H,17,21)
InChIKeyLJDNPVZSXRHCRX-UHFFFAOYSA-N
XLogP1.28
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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)-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 136914839
2-hydroxy-N-[(3-hydroxy-4-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 3446242
(2R)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 135674788
(2R)-N-[(3-bromophenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 905815
2-hydroxy-N-[(2-hydroxy-5-iodophenyl)methylideneamino]-2-phenylacetamide
CID 3909034
N-[2-[2-[(3,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 4612170
N-[(Z)-(4-ethylphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 6087706
(2R)-2-hydroxy-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 40516770
[2-benzoyloxy-4-[(E)-[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]phenyl] benzoate
CID 56688450
2-hydroxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-phenylacetamide;hydrochloride
CID 163329108
2-hydroxy-N-[(E)-(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-phenylacetamide
CID 135504378
(2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 129441465

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide (CID 4618895) is N-[(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide is O=C(NN=Cc1ccc(O)c(O)c1)C(O)c1ccccc1.
What is the InChIKey of N-[(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide?
The InChIKey is LJDNPVZSXRHCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-12-7-6-10(8-13(12)19)9-16-17-15(21)14(20)11-4-2-1-3-5-11/h1-9,14,18-20H,(H,17,21).
What are the key properties of N-[(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide?
N-[(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide has a molecular weight of 286.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 4618895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).