4-(diethylamino)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide

C20H25N3O3 — CID 135576771

IUPAC4-(diethylamino)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
SMILESCCOc1cccc(/C=N/NC(=O)c2ccc(N(CC)CC)cc2)c1O
InChIInChI=1S/C20H25N3O3/c1-4-23(5-2)17-12-10-15(11-13-17)20(25)22-21-14-16-8-7-9-18(19(16)24)26-6-3/h7-14,24H,4-6H2,1-3H3,(H,22,25)/b21-14+
InChIKeyFWIGFAJSCYCWBO-KGENOOAVSA-N
MW355.44 g/mol
LogP3.40
Rot. Bonds8

About 4-(diethylamino)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide

4-(diethylamino)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135576771) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-(diethylamino)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135576771
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-(diethylamino)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
SMILESCCOc1cccc(/C=N/NC(=O)c2ccc(N(CC)CC)cc2)c1O
InChIInChI=1S/C20H25N3O3/c1-4-23(5-2)17-12-10-15(11-13-17)20(25)22-21-14-16-8-7-9-18(19(16)24)26-6-3/h7-14,24H,4-6H2,1-3H3,(H,22,25)/b21-14+
InChIKeyFWIGFAJSCYCWBO-KGENOOAVSA-N
XLogP3.40
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
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'}

Analyze 4-(diethylamino)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide 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

4-ethoxy-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135702023
4-bromo-N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 1356754
2-[2-[[[4-(diethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 2331809
methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 2643022
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide
CID 139083037
2-chloro-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135578299
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3632483
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 135717463
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]naphthalene-1-carboxamide
CID 135738394
2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 136787439
5-bromo-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 135489071
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 136817906

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(diethylamino)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide (CID 135576771) is 4-(diethylamino)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(diethylamino)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide is CCOc1cccc(/C=N/NC(=O)c2ccc(N(CC)CC)cc2)c1O.
What is the InChIKey of 4-(diethylamino)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is FWIGFAJSCYCWBO-KGENOOAVSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-23(5-2)17-12-10-15(11-13-17)20(25)22-21-14-16-8-7-9-18(19(16)24)26-6-3/h7-14,24H,4-6H2,1-3H3,(H,22,25)/b21-14+.
What are the key properties of 4-(diethylamino)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide?
4-(diethylamino)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 355.44 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135576771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).