N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide

C19H19N3O4 — CID 136720459

IUPACN-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide
SMILESCCn1c(C)c(C(=O)N/N=C\c2ccc(O)cc2O)c2cc(O)ccc21
InChIInChI=1S/C19H19N3O4/c1-3-22-11(2)18(15-8-13(23)6-7-16(15)22)19(26)21-20-10-12-4-5-14(24)9-17(12)25/h4-10,23-25H,3H2,1-2H3,(H,21,26)/b20-10-
InChIKeyNFVWUKITWGXZAB-JMIUGGIZSA-N
MW353.38 g/mol
LogP2.85
Rot. Bonds4

About N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide

N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide (PubChem CID 136720459) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide
PubChem CID136720459
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide
SMILESCCn1c(C)c(C(=O)N/N=C\c2ccc(O)cc2O)c2cc(O)ccc21
InChIInChI=1S/C19H19N3O4/c1-3-22-11(2)18(15-8-13(23)6-7-16(15)22)19(26)21-20-10-12-4-5-14(24)9-17(12)25/h4-10,23-25H,3H2,1-2H3,(H,21,26)/b20-10-
InChIKeyNFVWUKITWGXZAB-JMIUGGIZSA-N
XLogP2.85
TPSA107.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135628281
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide
CID 135673755
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
CID 135648812
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135529636
1-ethyl-N-[(2-hydroxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 2641917
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-ethylquinoline-4-carboxamide
CID 135457689
4-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 689755
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(4-ethylphenyl)acetamide
CID 137168015
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 135641728
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 136728469

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide?
The IUPAC name of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide (CID 136720459) is N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide?
The canonical SMILES for N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide is CCn1c(C)c(C(=O)N/N=C\c2ccc(O)cc2O)c2cc(O)ccc21.
What is the InChIKey of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide?
The InChIKey is NFVWUKITWGXZAB-JMIUGGIZSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-3-22-11(2)18(15-8-13(23)6-7-16(15)22)19(26)21-20-10-12-4-5-14(24)9-17(12)25/h4-10,23-25H,3H2,1-2H3,(H,21,26)/b20-10-.
What are the key properties of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide?
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-1-ethyl-5-hydroxy-2-methylindole-3-carboxamide is sourced from PubChem (CID 136720459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).