2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide

C19H24N4O2 — CID 135620274

IUPAC2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)CNc2ccccc2)c(O)c1
InChIInChI=1S/C19H24N4O2/c1-3-23(4-2)17-11-10-15(18(24)12-17)13-21-22-19(25)14-20-16-8-6-5-7-9-16/h5-13,20,24H,3-4,14H2,1-2H3,(H,22,25)/b21-13+
InChIKeyQFYWSYYZWNUAKU-FYJGNVAPSA-N
MW340.43 g/mol
LogP2.80
Rot. Bonds8

About 2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide

2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide (PubChem CID 135620274) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
PubChem CID135620274
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)CNc2ccccc2)c(O)c1
InChIInChI=1S/C19H24N4O2/c1-3-23(4-2)17-11-10-15(18(24)12-17)13-21-22-19(25)14-20-16-8-6-5-7-9-16/h5-13,20,24H,3-4,14H2,1-2H3,(H,22,25)/b21-13+
InChIKeyQFYWSYYZWNUAKU-FYJGNVAPSA-N
XLogP2.80
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide?
The IUPAC name of 2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide (CID 135620274) is 2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide?
The canonical SMILES for 2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide is CCN(CC)c1ccc(/C=N/NC(=O)CNc2ccccc2)c(O)c1.
What is the InChIKey of 2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide?
The InChIKey is QFYWSYYZWNUAKU-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-23(4-2)17-11-10-15(18(24)12-17)13-21-22-19(25)14-20-16-8-6-5-7-9-16/h5-13,20,24H,3-4,14H2,1-2H3,(H,22,25)/b21-13+.
What are the key properties of 2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide?
2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide has a molecular weight of 340.43 g/mol, XLogP of 2.80, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide is sourced from PubChem (CID 135620274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).