N-[[4-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)diazenyl]phenyl]methyl]prop-2-enamide

C24H21N3O4 — CID 136646298

IUPACN-[[4-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)diazenyl]phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(/N=N/c2cc(C(=O)c3ccccc3)c(O)cc2OC)cc1
InChIInChI=1S/C24H21N3O4/c1-3-23(29)25-15-16-9-11-18(12-10-16)26-27-20-13-19(21(28)14-22(20)31-2)24(30)17-7-5-4-6-8-17/h3-14,28H,1,15H2,2H3,(H,25,29)/b27-26+
InChIKeySCXUJWJPUUEUPN-CYYJNZCTSA-N
MW415.45 g/mol
LogP4.85
Rot. Bonds8

About N-[[4-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)diazenyl]phenyl]methyl]prop-2-enamide

N-[[4-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)diazenyl]phenyl]methyl]prop-2-enamide (PubChem CID 136646298) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[[4-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)diazenyl]phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[4-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)diazenyl]phenyl]methyl]prop-2-enamide
PubChem CID136646298
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-[[4-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)diazenyl]phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(/N=N/c2cc(C(=O)c3ccccc3)c(O)cc2OC)cc1
InChIInChI=1S/C24H21N3O4/c1-3-23(29)25-15-16-9-11-18(12-10-16)26-27-20-13-19(21(28)14-22(20)31-2)24(30)17-7-5-4-6-8-17/h3-14,28H,1,15H2,2H3,(H,25,29)/b27-26+
InChIKeySCXUJWJPUUEUPN-CYYJNZCTSA-N
XLogP4.85
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl prop-2-enoate
CID 137132941
N-[2-[4-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl]-2-methylprop-2-enamide
CID 136646297
N-[(5-benzoyl-4-hydroxy-2-methylphenyl)methyl]prop-2-enamide
CID 23404988
2-[4-[(5-benzoyl-2-ethoxy-4-hydroxyphenyl)diazenyl]phenyl]ethyl 2-methylpropanoate
CID 144837612
(2-hydroxy-4-methyl-5-phenyldiazenylphenyl)-phenylmethanone
CID 3578467
(5-amino-4-ethoxy-2-hydroxyphenyl)-phenylmethanone;N-[2-(4-aminophenyl)ethyl]prop-2-enamide
CID 144837585
but-2-enedioic acid;[2-hydroxy-5-(hydroxymethyl)-4-methoxyphenyl]-phenylmethanone
CID 70542201
N-[2-(4-benzoyl-3-hydroxyphenoxy)ethyl]prop-2-enamide
CID 70580651
4-benzoyl-2,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 171979954
(2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane
CID 175255493
5-benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid
CID 19988
[5-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)-[bis(5-benzoyl-4-hydroxy-2-methoxyphenyl)methylperoxy]methyl]-2-hydroxy-4-methoxyphenyl]-phenylmethanone
CID 139830440

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)diazenyl]phenyl]methyl]prop-2-enamide?
The IUPAC name of N-[[4-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)diazenyl]phenyl]methyl]prop-2-enamide (CID 136646298) is N-[[4-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)diazenyl]phenyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[4-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)diazenyl]phenyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[4-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)diazenyl]phenyl]methyl]prop-2-enamide is C=CC(=O)NCc1ccc(/N=N/c2cc(C(=O)c3ccccc3)c(O)cc2OC)cc1.
What is the InChIKey of N-[[4-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)diazenyl]phenyl]methyl]prop-2-enamide?
The InChIKey is SCXUJWJPUUEUPN-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-3-23(29)25-15-16-9-11-18(12-10-16)26-27-20-13-19(21(28)14-22(20)31-2)24(30)17-7-5-4-6-8-17/h3-14,28H,1,15H2,2H3,(H,25,29)/b27-26+.
What are the key properties of N-[[4-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)diazenyl]phenyl]methyl]prop-2-enamide?
N-[[4-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)diazenyl]phenyl]methyl]prop-2-enamide has a molecular weight of 415.45 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)diazenyl]phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 136646298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).