N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide

C18H17N3O4 — CID 6890547

IUPACN-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N/N=C/c3ccc(OC)c(O)c3)cc2c1
InChIInChI=1S/C18H17N3O4/c1-24-13-4-5-14-12(8-13)9-15(20-14)18(23)21-19-10-11-3-6-17(25-2)16(22)7-11/h3-10,20,22H,1-2H3,(H,21,23)/b19-10+
InChIKeyVTEYZFGRITVZIY-VXLYETTFSA-N
MW339.35 g/mol
LogP2.65
Rot. Bonds5

About N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide

N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide (PubChem CID 6890547) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide
PubChem CID6890547
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N/N=C/c3ccc(OC)c(O)c3)cc2c1
InChIInChI=1S/C18H17N3O4/c1-24-13-4-5-14-12(8-13)9-15(20-14)18(23)21-19-10-11-3-6-17(25-2)16(22)7-11/h3-10,20,22H,1-2H3,(H,21,23)/b19-10+
InChIKeyVTEYZFGRITVZIY-VXLYETTFSA-N
XLogP2.65
TPSA95.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide (CID 6890547) is N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)N/N=C/c3ccc(OC)c(O)c3)cc2c1.
What is the InChIKey of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide?
The InChIKey is VTEYZFGRITVZIY-VXLYETTFSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-24-13-4-5-14-12(8-13)9-15(20-14)18(23)21-19-10-11-3-6-17(25-2)16(22)7-11/h3-10,20,22H,1-2H3,(H,21,23)/b19-10+.
What are the key properties of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide?
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 6890547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).