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

C26H28N4O3 — CID 135971384

IUPACN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)c(O)c1
InChIInChI=1S/C26H28N4O3/c1-4-30(5-2)23-14-13-21(24(31)16-23)17-27-29-26(33)20-7-6-8-22(15-20)28-25(32)19-11-9-18(3)10-12-19/h6-17,31H,4-5H2,1-3H3,(H,28,32)(H,29,33)/b27-17+
InChIKeyYGLFXDTZFJEGGC-WPWMEQJKSA-N
MW444.54 g/mol
LogP4.56
Rot. Bonds8

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

N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide (PubChem CID 135971384) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide
PubChem CID135971384
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)c(O)c1
InChIInChI=1S/C26H28N4O3/c1-4-30(5-2)23-14-13-21(24(31)16-23)17-27-29-26(33)20-7-6-8-22(15-20)28-25(32)19-11-9-18(3)10-12-19/h6-17,31H,4-5H2,1-3H3,(H,28,32)(H,29,33)/b27-17+
InChIKeyYGLFXDTZFJEGGC-WPWMEQJKSA-N
XLogP4.56
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.56
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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Related Compounds

Gsk-9089
CID 5497124
n'-(4-(Diethylamino)-2-hydroxybenzylidene)-2-hydroxybenzohydrazide
CID 135472454
N-[[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 644030
N-(4-{[2-(3-hydroxybenzylidene)hydrazino]carbonyl}phenyl)cyclohexanecarboxamide
CID 6875721
N-{4-[N-(2-hydroxybenzoyl)ethanehydrazonoyl]phenyl}benzamide
CID 9694778
Benzamide, 4-methyl-N-[3-(4-hydroxybenzylidenhydrazinocarbonyl)phenyl]-
CID 135419955
2-Hydroxy-4-diethylaminobenzaldehyde 4-tert-butyl-benzoyl hydrazone
CID 135470886
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-4-hydroxybenzohydrazide
CID 6864965
Benzylidenehydrazine derivative, 13
CID 135922678
2-oxidanyl-N-[(E)-1-[4-(2-phenylethanoylamino)phenyl]ethylideneamino]benzamide
CID 25237596
N'-[4-(diethylamino)-2-hydroxybenzylidene]-4-nitrobenzohydrazide
CID 135400305
N-benzyl-4-{2-[4-(diethylamino)-2-hydroxybenzylidene]hydrazino}-4-oxobutanamide
CID 135401468

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide?
The IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide (CID 135971384) is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide is CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)c(O)c1.
What is the InChIKey of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide?
The InChIKey is YGLFXDTZFJEGGC-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-4-30(5-2)23-14-13-21(24(31)16-23)17-27-29-26(33)20-7-6-8-22(15-20)28-25(32)19-11-9-18(3)10-12-19/h6-17,31H,4-5H2,1-3H3,(H,28,32)(H,29,33)/b27-17+.
What are the key properties of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide?
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide has a molecular weight of 444.54 g/mol, XLogP of 4.56, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[(4-methylbenzoyl)amino]benzamide is sourced from PubChem (CID 135971384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).