2-anilino-N-[(E)-1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]propanamide

C19H23N3O3 — CID 146622152

IUPAC2-anilino-N-[(E)-1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]propanamide
SMILESCC/C(=N\NC(=O)C(C)Nc1ccccc1)c1ccc(O)c(C)c1O
InChIInChI=1S/C19H23N3O3/c1-4-16(15-10-11-17(23)12(2)18(15)24)21-22-19(25)13(3)20-14-8-6-5-7-9-14/h5-11,13,20,23-24H,4H2,1-3H3,(H,22,25)/b21-16+
InChIKeyRJHQUBJDRHLKEX-LTGZKZEYSA-N
MW341.41 g/mol
LogP3.14
Rot. Bonds6

About 2-anilino-N-[(E)-1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]propanamide

2-anilino-N-[(E)-1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]propanamide (PubChem CID 146622152) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-anilino-N-[(E)-1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]propanamide.

Molecular Properties

Compound Name2-anilino-N-[(E)-1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]propanamide
PubChem CID146622152
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-anilino-N-[(E)-1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]propanamide
SMILESCC/C(=N\NC(=O)C(C)Nc1ccccc1)c1ccc(O)c(C)c1O
InChIInChI=1S/C19H23N3O3/c1-4-16(15-10-11-17(23)12(2)18(15)24)21-22-19(25)13(3)20-14-8-6-5-7-9-14/h5-11,13,20,23-24H,4H2,1-3H3,(H,22,25)/b21-16+
InChIKeyRJHQUBJDRHLKEX-LTGZKZEYSA-N
XLogP3.14
TPSA93.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.14
H-Bond Donors ≤ 54
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(E)-1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]propanamide?
The IUPAC name of 2-anilino-N-[(E)-1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]propanamide (CID 146622152) is 2-anilino-N-[(E)-1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]propanamide.
What is the SMILES notation for 2-anilino-N-[(E)-1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]propanamide?
The canonical SMILES for 2-anilino-N-[(E)-1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]propanamide is CC/C(=N\NC(=O)C(C)Nc1ccccc1)c1ccc(O)c(C)c1O.
What is the InChIKey of 2-anilino-N-[(E)-1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]propanamide?
The InChIKey is RJHQUBJDRHLKEX-LTGZKZEYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-16(15-10-11-17(23)12(2)18(15)24)21-22-19(25)13(3)20-14-8-6-5-7-9-14/h5-11,13,20,23-24H,4H2,1-3H3,(H,22,25)/b21-16+.
What are the key properties of 2-anilino-N-[(E)-1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]propanamide?
2-anilino-N-[(E)-1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]propanamide has a molecular weight of 341.41 g/mol, XLogP of 3.14, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(E)-1-(2,4-dihydroxy-3-methylphenyl)propylideneamino]propanamide is sourced from PubChem (CID 146622152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).