2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide

C19H19N3O4 — CID 4505477

IUPAC2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide
SMILESCCCn1c(O)c(/N=N/C(=O)c2ccccc2O)c2cc(OC)ccc21
InChIInChI=1S/C19H19N3O4/c1-3-10-22-15-9-8-12(26-2)11-14(15)17(19(22)25)20-21-18(24)13-6-4-5-7-16(13)23/h4-9,11,23,25H,3,10H2,1-2H3/b21-20+
InChIKeyXSAQXGNNQLILKK-QZQOTICOSA-N
MW353.38 g/mol
LogP4.40
Rot. Bonds5

About 2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide

2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide (PubChem CID 4505477) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide
PubChem CID4505477
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide
SMILESCCCn1c(O)c(/N=N/C(=O)c2ccccc2O)c2cc(OC)ccc21
InChIInChI=1S/C19H19N3O4/c1-3-10-22-15-9-8-12(26-2)11-14(15)17(19(22)25)20-21-18(24)13-6-4-5-7-16(13)23/h4-9,11,23,25H,3,10H2,1-2H3/b21-20+
InChIKeyXSAQXGNNQLILKK-QZQOTICOSA-N
XLogP4.40
TPSA96.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.40
H-Bond Donors ≤ 52
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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Related Compounds

N-[2-hydroxy-5-methoxy-1-(3-methylbutyl)indol-3-yl]iminobenzamide
CID 4507272
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide
CID 4504817
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide
CID 4504812
N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide
CID 4501413
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide
CID 4504457
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-chlorobenzamide
CID 135726463
N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminohexanamide
CID 4504327
N-[5-bromo-1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]imino-2-methoxybenzamide
CID 3366985
2-[2-hydroxy-3-[(2-hydroxybenzoyl)diazenyl]indol-1-yl]acetate
CID 4090975
N-(5-bromo-2-hydroxy-1-prop-2-enylindol-3-yl)imino-2-methoxybenzamide
CID 3838803
4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 4001444

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide (CID 4505477) is 2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide is CCCn1c(O)c(/N=N/C(=O)c2ccccc2O)c2cc(OC)ccc21.
What is the InChIKey of 2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide?
The InChIKey is XSAQXGNNQLILKK-QZQOTICOSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-3-10-22-15-9-8-12(26-2)11-14(15)17(19(22)25)20-21-18(24)13-6-4-5-7-16(13)23/h4-9,11,23,25H,3,10H2,1-2H3/b21-20+.
What are the key properties of 2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide?
2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide has a molecular weight of 353.38 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide is sourced from PubChem (CID 4505477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).