(E)-3-hydroxy-2-phenyldiazenyl-N-(2-phenylmethoxyphenyl)but-2-enamide

C23H21N3O3 — CID 178130112

IUPAC(E)-3-hydroxy-2-phenyldiazenyl-N-(2-phenylmethoxyphenyl)but-2-enamide
SMILESC/C(O)=C(\N=N\c1ccccc1)C(=O)Nc1ccccc1OCc1ccccc1
InChIInChI=1S/C23H21N3O3/c1-17(27)22(26-25-19-12-6-3-7-13-19)23(28)24-20-14-8-9-15-21(20)29-16-18-10-4-2-5-11-18/h2-15,27H,16H2,1H3,(H,24,28)/b22-17+,26-25+
InChIKeyNFDJIYXEGSGVQB-NEMYEJEXSA-N
MW387.44 g/mol
LogP5.78
Rot. Bonds7

About (E)-3-hydroxy-2-phenyldiazenyl-N-(2-phenylmethoxyphenyl)but-2-enamide

(E)-3-hydroxy-2-phenyldiazenyl-N-(2-phenylmethoxyphenyl)but-2-enamide (PubChem CID 178130112) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is (E)-3-hydroxy-2-phenyldiazenyl-N-(2-phenylmethoxyphenyl)but-2-enamide.

Molecular Properties

Compound Name(E)-3-hydroxy-2-phenyldiazenyl-N-(2-phenylmethoxyphenyl)but-2-enamide
PubChem CID178130112
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name(E)-3-hydroxy-2-phenyldiazenyl-N-(2-phenylmethoxyphenyl)but-2-enamide
SMILESC/C(O)=C(\N=N\c1ccccc1)C(=O)Nc1ccccc1OCc1ccccc1
InChIInChI=1S/C23H21N3O3/c1-17(27)22(26-25-19-12-6-3-7-13-19)23(28)24-20-14-8-9-15-21(20)29-16-18-10-4-2-5-11-18/h2-15,27H,16H2,1H3,(H,24,28)/b22-17+,26-25+
InChIKeyNFDJIYXEGSGVQB-NEMYEJEXSA-N
XLogP5.78
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-hydroxy-2-phenyldiazenyl-N-(2-phenylmethoxyphenyl)but-2-enamide 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

3-[[3-hydroxy-1-(2-methoxyanilino)-1-oxobut-2-en-2-yl]diazenyl]benzoic acid
CID 147181871
3-hydroxy-2-[(4-hydroxyphenyl)diazenyl]-N-phenylbut-2-enamide
CID 157218994
2-(ethylamino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54820872
(Z)-2-acetamido-3-phenyl-N-(2-phenylmethoxyphenyl)prop-2-enamide
CID 17093528
hydroperoxy 2-[4-[[3-hydroxy-1-(2-methoxyanilino)-1-oxobut-2-en-2-yl]diazenyl]phenyl]sulfonylethanesulfinate
CID 158434159
2-chloro-N-(2-phenylmethoxyphenyl)acetamide
CID 154832938
dimethyl 2-[[3-hydroxy-1-[2-(2-hydroxyethoxy)anilino]-1-oxobut-2-en-2-yl]diazenyl]benzene-1,4-dicarboxylate
CID 152774541
ethyl N-[(E)-3-hydroxy-2-phenyldiazenylbut-2-enoyl]carbamate
CID 135777563
(Z)-N-(4-acetamido-2-methoxyphenyl)-2-[(4-butylphenyl)diazenyl]-3-hydroxybut-2-enamide
CID 135501778
4-[[(E)-3-hydroxy-1-oxo-1-phenylmethoxybut-2-en-2-yl]diazenyl]benzoic acid
CID 135498815
methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate
CID 17178291
2-(2-methoxyphenoxy)-N-(2-phenylmethoxyphenyl)propanamide
CID 17093523

Frequently Asked Questions

What is the IUPAC name of (E)-3-hydroxy-2-phenyldiazenyl-N-(2-phenylmethoxyphenyl)but-2-enamide?
The IUPAC name of (E)-3-hydroxy-2-phenyldiazenyl-N-(2-phenylmethoxyphenyl)but-2-enamide (CID 178130112) is (E)-3-hydroxy-2-phenyldiazenyl-N-(2-phenylmethoxyphenyl)but-2-enamide.
What is the SMILES notation for (E)-3-hydroxy-2-phenyldiazenyl-N-(2-phenylmethoxyphenyl)but-2-enamide?
The canonical SMILES for (E)-3-hydroxy-2-phenyldiazenyl-N-(2-phenylmethoxyphenyl)but-2-enamide is C/C(O)=C(\N=N\c1ccccc1)C(=O)Nc1ccccc1OCc1ccccc1.
What is the InChIKey of (E)-3-hydroxy-2-phenyldiazenyl-N-(2-phenylmethoxyphenyl)but-2-enamide?
The InChIKey is NFDJIYXEGSGVQB-NEMYEJEXSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-17(27)22(26-25-19-12-6-3-7-13-19)23(28)24-20-14-8-9-15-21(20)29-16-18-10-4-2-5-11-18/h2-15,27H,16H2,1H3,(H,24,28)/b22-17+,26-25+.
What are the key properties of (E)-3-hydroxy-2-phenyldiazenyl-N-(2-phenylmethoxyphenyl)but-2-enamide?
(E)-3-hydroxy-2-phenyldiazenyl-N-(2-phenylmethoxyphenyl)but-2-enamide has a molecular weight of 387.44 g/mol, XLogP of 5.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hydroxy-2-phenyldiazenyl-N-(2-phenylmethoxyphenyl)but-2-enamide is sourced from PubChem (CID 178130112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).