N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide

C25H21N3O3 — CID 155007361

IUPACN-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc3ccccc3c(/N=N/c3ccccc3)c2O)cc1
InChIInChI=1S/C25H21N3O3/c1-2-31-20-14-12-18(13-15-20)26-25(30)22-16-17-8-6-7-11-21(17)23(24(22)29)28-27-19-9-4-3-5-10-19/h3-16,29H,2H2,1H3,(H,26,30)/b28-27+
InChIKeyCWKDUIXDFRHXMJ-BYYHNAKLSA-N
MW411.46 g/mol
LogP6.61
Rot. Bonds6

About N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide

N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide (PubChem CID 155007361) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
PubChem CID155007361
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc3ccccc3c(/N=N/c3ccccc3)c2O)cc1
InChIInChI=1S/C25H21N3O3/c1-2-31-20-14-12-18(13-15-20)26-25(30)22-16-17-8-6-7-11-21(17)23(24(22)29)28-27-19-9-4-3-5-10-19/h3-16,29H,2H2,1H3,(H,26,30)/b28-27+
InChIKeyCWKDUIXDFRHXMJ-BYYHNAKLSA-N
XLogP6.61
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-[[3-[(4-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-2-methylbenzenesulfonic acid
CID 136708333
4-amino-N-(4-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 143927256
5-chloro-2-[[3-[(4-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-4-ethylbenzenesulfonic acid
CID 136708499
2-chloro-4-[[3-[(4-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-3-methylbenzenesulfonic acid
CID 136708285
2-chloro-4-[[3-[(4-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-5-methylbenzenesulfonic acid
CID 136708299
calcium;2-chloro-5-[[3-[(4-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-3-methylbenzenesulfonic acid;2-chloro-5-[[3-[(4-ethoxyphenyl)carbamoyl]-2-oxidonaphthalen-1-yl]diazenyl]-3-methylbenzenesulfonate
CID 136708765
ethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide
CID 143289888
3-methoxy-N-phenyl-4-phenyldiazenylnaphthalene-2-carboxamide
CID 137389574
4-[(4-carbamoylphenyl)diazenyl]-N-(2-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 17740
7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide
CID 5262935
2-chloro-6-ethyl-4-[[2-hydroxy-3-[(4-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]benzenesulfonic acid
CID 136708125
3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-phenyldiazenylnaphthalene-2-carboxamide;methane
CID 162195447

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide (CID 155007361) is N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide is CCOc1ccc(NC(=O)c2cc3ccccc3c(/N=N/c3ccccc3)c2O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide?
The InChIKey is CWKDUIXDFRHXMJ-BYYHNAKLSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-2-31-20-14-12-18(13-15-20)26-25(30)22-16-17-8-6-7-11-21(17)23(24(22)29)28-27-19-9-4-3-5-10-19/h3-16,29H,2H2,1H3,(H,26,30)/b28-27+.
What are the key properties of N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide?
N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 6.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide is sourced from PubChem (CID 155007361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).