N-[2-hydroxy-6-methoxy-1-(2-methoxyethyl)indol-3-yl]iminobenzamide

C19H19N3O4 — CID 135924639

IUPACN-[2-hydroxy-6-methoxy-1-(2-methoxyethyl)indol-3-yl]iminobenzamide
SMILESCOCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2ccc(OC)cc21
InChIInChI=1S/C19H19N3O4/c1-25-11-10-22-16-12-14(26-2)8-9-15(16)17(19(22)24)20-21-18(23)13-6-4-3-5-7-13/h3-9,12,24H,10-11H2,1-2H3/b21-20+
InChIKeyKOMQMXXEXJKYLJ-QZQOTICOSA-N
MW353.38 g/mol
LogP3.93
Rot. Bonds6

About N-[2-hydroxy-6-methoxy-1-(2-methoxyethyl)indol-3-yl]iminobenzamide

N-[2-hydroxy-6-methoxy-1-(2-methoxyethyl)indol-3-yl]iminobenzamide (PubChem CID 135924639) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[2-hydroxy-6-methoxy-1-(2-methoxyethyl)indol-3-yl]iminobenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-6-methoxy-1-(2-methoxyethyl)indol-3-yl]iminobenzamide
PubChem CID135924639
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[2-hydroxy-6-methoxy-1-(2-methoxyethyl)indol-3-yl]iminobenzamide
SMILESCOCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2ccc(OC)cc21
InChIInChI=1S/C19H19N3O4/c1-25-11-10-22-16-12-14(26-2)8-9-15(16)17(19(22)24)20-21-18(23)13-6-4-3-5-7-13/h3-9,12,24H,10-11H2,1-2H3/b21-20+
InChIKeyKOMQMXXEXJKYLJ-QZQOTICOSA-N
XLogP3.93
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-6-methoxy-1-(2-methoxyethyl)indol-3-yl]iminobenzamide?
The IUPAC name of N-[2-hydroxy-6-methoxy-1-(2-methoxyethyl)indol-3-yl]iminobenzamide (CID 135924639) is N-[2-hydroxy-6-methoxy-1-(2-methoxyethyl)indol-3-yl]iminobenzamide.
What is the SMILES notation for N-[2-hydroxy-6-methoxy-1-(2-methoxyethyl)indol-3-yl]iminobenzamide?
The canonical SMILES for N-[2-hydroxy-6-methoxy-1-(2-methoxyethyl)indol-3-yl]iminobenzamide is COCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2ccc(OC)cc21.
What is the InChIKey of N-[2-hydroxy-6-methoxy-1-(2-methoxyethyl)indol-3-yl]iminobenzamide?
The InChIKey is KOMQMXXEXJKYLJ-QZQOTICOSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-25-11-10-22-16-12-14(26-2)8-9-15(16)17(19(22)24)20-21-18(23)13-6-4-3-5-7-13/h3-9,12,24H,10-11H2,1-2H3/b21-20+.
What are the key properties of N-[2-hydroxy-6-methoxy-1-(2-methoxyethyl)indol-3-yl]iminobenzamide?
N-[2-hydroxy-6-methoxy-1-(2-methoxyethyl)indol-3-yl]iminobenzamide has a molecular weight of 353.38 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-6-methoxy-1-(2-methoxyethyl)indol-3-yl]iminobenzamide is sourced from PubChem (CID 135924639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).