N-[2-hydroxy-5-methoxy-1-(3-methylbutyl)indol-3-yl]iminobenzamide

C21H23N3O3 — CID 4507272

IUPACN-[2-hydroxy-5-methoxy-1-(3-methylbutyl)indol-3-yl]iminobenzamide
SMILESCOc1ccc2c(c1)c(/N=N/C(=O)c1ccccc1)c(O)n2CCC(C)C
InChIInChI=1S/C21H23N3O3/c1-14(2)11-12-24-18-10-9-16(27-3)13-17(18)19(21(24)26)22-23-20(25)15-7-5-4-6-8-15/h4-10,13-14,26H,11-12H2,1-3H3/b23-22+
InChIKeyNUMFAXHJURXRSS-GHVJWSGMSA-N
MW365.43 g/mol
LogP5.33
Rot. Bonds6

About N-[2-hydroxy-5-methoxy-1-(3-methylbutyl)indol-3-yl]iminobenzamide

N-[2-hydroxy-5-methoxy-1-(3-methylbutyl)indol-3-yl]iminobenzamide (PubChem CID 4507272) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-hydroxy-5-methoxy-1-(3-methylbutyl)indol-3-yl]iminobenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-methoxy-1-(3-methylbutyl)indol-3-yl]iminobenzamide
PubChem CID4507272
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[2-hydroxy-5-methoxy-1-(3-methylbutyl)indol-3-yl]iminobenzamide
SMILESCOc1ccc2c(c1)c(/N=N/C(=O)c1ccccc1)c(O)n2CCC(C)C
InChIInChI=1S/C21H23N3O3/c1-14(2)11-12-24-18-10-9-16(27-3)13-17(18)19(21(24)26)22-23-20(25)15-7-5-4-6-8-15/h4-10,13-14,26H,11-12H2,1-3H3/b23-22+
InChIKeyNUMFAXHJURXRSS-GHVJWSGMSA-N
XLogP5.33
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-hydroxy-5-methoxy-1-(3-methylbutyl)indol-3-yl]iminobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-methoxy-1-(3-methylbutyl)indol-3-yl]iminobenzamide?
The IUPAC name of N-[2-hydroxy-5-methoxy-1-(3-methylbutyl)indol-3-yl]iminobenzamide (CID 4507272) is N-[2-hydroxy-5-methoxy-1-(3-methylbutyl)indol-3-yl]iminobenzamide.
What is the SMILES notation for N-[2-hydroxy-5-methoxy-1-(3-methylbutyl)indol-3-yl]iminobenzamide?
The canonical SMILES for N-[2-hydroxy-5-methoxy-1-(3-methylbutyl)indol-3-yl]iminobenzamide is COc1ccc2c(c1)c(/N=N/C(=O)c1ccccc1)c(O)n2CCC(C)C.
What is the InChIKey of N-[2-hydroxy-5-methoxy-1-(3-methylbutyl)indol-3-yl]iminobenzamide?
The InChIKey is NUMFAXHJURXRSS-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14(2)11-12-24-18-10-9-16(27-3)13-17(18)19(21(24)26)22-23-20(25)15-7-5-4-6-8-15/h4-10,13-14,26H,11-12H2,1-3H3/b23-22+.
What are the key properties of N-[2-hydroxy-5-methoxy-1-(3-methylbutyl)indol-3-yl]iminobenzamide?
N-[2-hydroxy-5-methoxy-1-(3-methylbutyl)indol-3-yl]iminobenzamide has a molecular weight of 365.43 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-methoxy-1-(3-methylbutyl)indol-3-yl]iminobenzamide is sourced from PubChem (CID 4507272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).