N-[(E)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-phenylacetamide

C16H16N2O3 — CID 135578491

IUPACN-[(E)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-phenylacetamide
SMILESCc1cc(O)cc(O)c1/C=N/NC(=O)Cc1ccccc1
InChIInChI=1S/C16H16N2O3/c1-11-7-13(19)9-15(20)14(11)10-17-18-16(21)8-12-5-3-2-4-6-12/h2-7,9-10,19-20H,8H2,1H3,(H,18,21)/b17-10+
InChIKeyVEOOPNZCCVVQAO-LICLKQGHSA-N
MW284.31 g/mol
LogP2.10
Rot. Bonds4

About N-[(E)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-phenylacetamide

N-[(E)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-phenylacetamide (PubChem CID 135578491) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-phenylacetamide
PubChem CID135578491
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-[(E)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-phenylacetamide
SMILESCc1cc(O)cc(O)c1/C=N/NC(=O)Cc1ccccc1
InChIInChI=1S/C16H16N2O3/c1-11-7-13(19)9-15(20)14(11)10-17-18-16(21)8-12-5-3-2-4-6-12/h2-7,9-10,19-20H,8H2,1H3,(H,18,21)/b17-10+
InChIKeyVEOOPNZCCVVQAO-LICLKQGHSA-N
XLogP2.10
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

2-(4-bromonaphthalen-1-yl)-N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]acetamide
CID 4035780
N-[(Z)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 136794053
N-[(2,4-dihydroxy-6-methylphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 869850
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-phenylacetamide
CID 5419138
N-[2-[(2E)-2-[(2,4-dihydroxy-6-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-fluorobenzamide
CID 135685403
(1S)-N-[(E)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135748102
N-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-phenylacetamide
CID 2841647
N-[[2,5-bis(methylsulfanyl)-4-[[(2-phenylacetyl)hydrazinylidene]methyl]thiophen-3-yl]methylideneamino]-2-phenylacetamide
CID 4686407
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 135627903
2-phenyl-N-[[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-3-methyl-8-[[(2-phenylacetyl)hydrazinylidene]methyl]-5-propan-2-ylnaphthalen-2-yl]naphthalen-1-yl]methylideneamino]acetamide
CID 3821964
N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 136749233
N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 136786095

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(E)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-phenylacetamide (CID 135578491) is N-[(E)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-phenylacetamide is Cc1cc(O)cc(O)c1/C=N/NC(=O)Cc1ccccc1.
What is the InChIKey of N-[(E)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-phenylacetamide?
The InChIKey is VEOOPNZCCVVQAO-LICLKQGHSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-7-13(19)9-15(20)14(11)10-17-18-16(21)8-12-5-3-2-4-6-12/h2-7,9-10,19-20H,8H2,1H3,(H,18,21)/b17-10+.
What are the key properties of N-[(E)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-phenylacetamide?
N-[(E)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-phenylacetamide has a molecular weight of 284.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 135578491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).