N-[(Z)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide

C17H18N2O4 — CID 136794053

IUPACN-[(Z)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)N/N=C\c1c(C)cc(O)cc1O
InChIInChI=1S/C17H18N2O4/c1-11-5-3-4-6-16(11)23-10-17(22)19-18-9-14-12(2)7-13(20)8-15(14)21/h3-9,20-21H,10H2,1-2H3,(H,19,22)/b18-9-
InChIKeySKDFBIYCVUSXGV-NVMNQCDNSA-N
MW314.34 g/mol
LogP2.24
Rot. Bonds5

About N-[(Z)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide

N-[(Z)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide (PubChem CID 136794053) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[(Z)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
PubChem CID136794053
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-[(Z)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)N/N=C\c1c(C)cc(O)cc1O
InChIInChI=1S/C17H18N2O4/c1-11-5-3-4-6-16(11)23-10-17(22)19-18-9-14-12(2)7-13(20)8-15(14)21/h3-9,20-21H,10H2,1-2H3,(H,19,22)/b18-9-
InChIKeySKDFBIYCVUSXGV-NVMNQCDNSA-N
XLogP2.24
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

Analyze N-[(Z)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-phenylacetamide
CID 135578491
N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 136863946
N-[(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 1237454
N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135619927
2-(2-methylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5456697
N-[(E)-(5-bromo-2-hydroxy-3-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 135688686
2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 922557
N-(4-hydroxyphenyl)-2-(2-methylphenoxy)acetamide
CID 38113216
N-[(5-methylfuran-2-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 758393
4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 784771
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 6870806
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 831096

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(Z)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide (CID 136794053) is N-[(Z)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)N/N=C\c1c(C)cc(O)cc1O.
What is the InChIKey of N-[(Z)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide?
The InChIKey is SKDFBIYCVUSXGV-NVMNQCDNSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-5-3-4-6-16(11)23-10-17(22)19-18-9-14-12(2)7-13(20)8-15(14)21/h3-9,20-21H,10H2,1-2H3,(H,19,22)/b18-9-.
What are the key properties of N-[(Z)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide?
N-[(Z)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide has a molecular weight of 314.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dihydroxy-6-methylphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 136794053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).