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

C19H19N3O2 — CID 4501413

IUPACN-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide
SMILESCCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2cc(C)ccc21
InChIInChI=1S/C19H19N3O2/c1-3-11-22-16-10-9-13(2)12-15(16)17(19(22)24)20-21-18(23)14-7-5-4-6-8-14/h4-10,12,24H,3,11H2,1-2H3/b21-20+
InChIKeyCSOPVMZMXLOGHD-QZQOTICOSA-N
MW321.38 g/mol
LogP4.99
Rot. Bonds4

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

N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide (PubChem CID 4501413) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide
PubChem CID4501413
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide
SMILESCCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2cc(C)ccc21
InChIInChI=1S/C19H19N3O2/c1-3-11-22-16-10-9-13(2)12-15(16)17(19(22)24)20-21-18(23)14-7-5-4-6-8-14/h4-10,12,24H,3,11H2,1-2H3/b21-20+
InChIKeyCSOPVMZMXLOGHD-QZQOTICOSA-N
XLogP4.99
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-1-propylindol-3-yl)iminobenzamide
CID 5030390
N-[2-[(1-butyl-2-hydroxy-5-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
CID 4502119
4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 4001444
N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide
CID 4502441
2-(2-bromophenoxy)-N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminoacetamide
CID 4501600
N-(1-benzyl-5-bromo-2-hydroxyindol-3-yl)imino-3-methylbenzamide
CID 3984836
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide
CID 4504817
N-[2-hydroxy-5-methoxy-1-(3-methylbutyl)indol-3-yl]iminobenzamide
CID 4507272
4-bromo-N-(2-hydroxy-1,5-dimethylindol-3-yl)iminobenzamide
CID 1035611
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide
CID 4500546
2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide
CID 4505477
diethyl-[[2-hydroxy-3-[(4-methylbenzoyl)diazenyl]indol-1-yl]methyl]azanium
CID 2315375

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide?
The IUPAC name of N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide (CID 4501413) is N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide.
What is the SMILES notation for N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide?
The canonical SMILES for N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide is CCCn1c(O)c(/N=N/C(=O)c2ccccc2)c2cc(C)ccc21.
What is the InChIKey of N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide?
The InChIKey is CSOPVMZMXLOGHD-QZQOTICOSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-11-22-16-10-9-13(2)12-15(16)17(19(22)24)20-21-18(23)14-7-5-4-6-8-14/h4-10,12,24H,3,11H2,1-2H3/b21-20+.
What are the key properties of N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide?
N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide has a molecular weight of 321.38 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide is sourced from PubChem (CID 4501413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).