N-(3-ethoxyphenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide

C24H21N3O4 — CID 135457285

IUPACN-(3-ethoxyphenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide
SMILESCCOc1cccc(NC(=O)c2cc3ccc(O)cc3oc2=NNc2ccccc2)c1
InChIInChI=1S/C24H21N3O4/c1-2-30-20-10-6-9-18(14-20)25-23(29)21-13-16-11-12-19(28)15-22(16)31-24(21)27-26-17-7-4-3-5-8-17/h3-15,26,28H,2H2,1H3,(H,25,29)
InChIKeyZUPUFQVGCSDOLR-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.72
Rot. Bonds6

About N-(3-ethoxyphenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide

N-(3-ethoxyphenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide (PubChem CID 135457285) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide
PubChem CID135457285
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-(3-ethoxyphenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide
SMILESCCOc1cccc(NC(=O)c2cc3ccc(O)cc3oc2=NNc2ccccc2)c1
InChIInChI=1S/C24H21N3O4/c1-2-30-20-10-6-9-18(14-20)25-23(29)21-13-16-11-12-19(28)15-22(16)31-24(21)27-26-17-7-4-3-5-8-17/h3-15,26,28H,2H2,1H3,(H,25,29)
InChIKeyZUPUFQVGCSDOLR-UHFFFAOYSA-N
XLogP4.72
TPSA96.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-2-hydroxyimino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 135473864
(2E)-2-[(4-bromophenyl)hydrazinylidene]-N-(3-chlorophenyl)-7-hydroxychromene-3-carboxamide
CID 136772148
N-(2,4-dichlorophenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide
CID 135423153
(2Z)-N-(2,4-dichlorophenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide
CID 135641243
2-[(3-ethoxyphenyl)carbamoyl]benzoic acid
CID 17098079
7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide
CID 5262935
N-(3-ethoxyphenyl)-2-hydrazinylbenzamide
CID 62247314
N-(3-ethoxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 71459065
N-(3-ethoxyphenyl)-4-phenylbenzamide
CID 849227
4-chloro-N-(3-ethoxyphenyl)-2-fluorobenzamide
CID 47311708
N-(3-ethoxyphenyl)-2-methyl-5-sulfanylbenzamide
CID 107025835
7-hydroxy-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide
CID 135631507

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide?
The IUPAC name of N-(3-ethoxyphenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide (CID 135457285) is N-(3-ethoxyphenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide?
The canonical SMILES for N-(3-ethoxyphenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide is CCOc1cccc(NC(=O)c2cc3ccc(O)cc3oc2=NNc2ccccc2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide?
The InChIKey is ZUPUFQVGCSDOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-2-30-20-10-6-9-18(14-20)25-23(29)21-13-16-11-12-19(28)15-22(16)31-24(21)27-26-17-7-4-3-5-8-17/h3-15,26,28H,2H2,1H3,(H,25,29).
What are the key properties of N-(3-ethoxyphenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide?
N-(3-ethoxyphenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 4.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-7-hydroxy-2-(phenylhydrazinylidene)chromene-3-carboxamide is sourced from PubChem (CID 135457285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).