N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide

C18H21N3O4 — CID 135472599

IUPACN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2cc(O)cc(O)c2)c(O)c1
InChIInChI=1S/C18H21N3O4/c1-3-21(4-2)14-6-5-12(17(24)9-14)11-19-20-18(25)13-7-15(22)10-16(23)8-13/h5-11,22-24H,3-4H2,1-2H3,(H,20,25)/b19-11+
InChIKeyUZLGEXZYLUMKKJ-YBFXNURJSA-N
MW343.38 g/mol
LogP2.41
Rot. Bonds6

About N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide

N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide (PubChem CID 135472599) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide
PubChem CID135472599
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2cc(O)cc(O)c2)c(O)c1
InChIInChI=1S/C18H21N3O4/c1-3-21(4-2)14-6-5-12(17(24)9-14)11-19-20-18(25)13-7-15(22)10-16(23)8-13/h5-11,22-24H,3-4H2,1-2H3,(H,20,25)/b19-11+
InChIKeyUZLGEXZYLUMKKJ-YBFXNURJSA-N
XLogP2.41
TPSA105.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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'}

Analyze N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide 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-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide
CID 135642474
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 135614851
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 139202887
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(dimethylamino)benzamide
CID 135982653
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide
CID 155812617
3-acetamido-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
CID 137122867
5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-3-carboxamide
CID 135643232
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3725484
4-(butanoylamino)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
CID 3370614
2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 2315436
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
CID 135781530
4-chloro-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 135716285

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide?
The IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide (CID 135472599) is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide is CCN(CC)c1ccc(/C=N/NC(=O)c2cc(O)cc(O)c2)c(O)c1.
What is the InChIKey of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide?
The InChIKey is UZLGEXZYLUMKKJ-YBFXNURJSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-3-21(4-2)14-6-5-12(17(24)9-14)11-19-20-18(25)13-7-15(22)10-16(23)8-13/h5-11,22-24H,3-4H2,1-2H3,(H,20,25)/b19-11+.
What are the key properties of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide?
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide has a molecular weight of 343.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide is sourced from PubChem (CID 135472599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).