N'-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-N-propan-2-yloxamide

C16H20N4O3 — CID 135575866

IUPACN'-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-N-propan-2-yloxamide
SMILESCCn1c(O)c(/N=N/C(=O)C(=O)NC(C)C)c2cc(C)ccc21
InChIInChI=1S/C16H20N4O3/c1-5-20-12-7-6-10(4)8-11(12)13(16(20)23)18-19-15(22)14(21)17-9(2)3/h6-9,23H,5H2,1-4H3,(H,17,21)/b19-18+
InChIKeyDHBCZLKYEHLATJ-VHEBQXMUSA-N
MW316.36 g/mol
LogP2.81
Rot. Bonds3

About N'-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-N-propan-2-yloxamide

N'-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-N-propan-2-yloxamide (PubChem CID 135575866) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N'-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-N-propan-2-yloxamide.

Molecular Properties

Compound NameN'-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-N-propan-2-yloxamide
PubChem CID135575866
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN'-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-N-propan-2-yloxamide
SMILESCCn1c(O)c(/N=N/C(=O)C(=O)NC(C)C)c2cc(C)ccc21
InChIInChI=1S/C16H20N4O3/c1-5-20-12-7-6-10(4)8-11(12)13(16(20)23)18-19-15(22)14(21)17-9(2)3/h6-9,23H,5H2,1-4H3,(H,17,21)/b19-18+
InChIKeyDHBCZLKYEHLATJ-VHEBQXMUSA-N
XLogP2.81
TPSA96.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 135747815
diethyl-[2-[2-hydroxy-3-[[2-oxo-2-(propan-2-ylamino)acetyl]diazenyl]indol-1-yl]ethyl]azanium
CID 135575864
2-(4-chloro-2-methylphenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminopropanamide
CID 4500392
(2R)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(2-fluorophenoxy)propanamide
CID 135747864
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-phenoxyacetamide
CID 4500546
N,N'-bis[[2-hydroxy-5-methyl-1-(2-methylpropyl)indol-3-yl]imino]pentanediamide
CID 4503012
N-(2-hydroxy-5-methyl-1-propylindol-3-yl)iminobenzamide
CID 4501413
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide
CID 4504817
2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide
CID 135838548
N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide
CID 4502441
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(3-methoxyanilino)acetamide
CID 166435290
N-(1-butyl-2-hydroxy-5-methylindol-3-yl)iminocyclohexanecarboxamide
CID 4501941

Frequently Asked Questions

What is the IUPAC name of N'-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-N-propan-2-yloxamide?
The IUPAC name of N'-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-N-propan-2-yloxamide (CID 135575866) is N'-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-N-propan-2-yloxamide.
What is the SMILES notation for N'-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-N-propan-2-yloxamide?
The canonical SMILES for N'-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-N-propan-2-yloxamide is CCn1c(O)c(/N=N/C(=O)C(=O)NC(C)C)c2cc(C)ccc21.
What is the InChIKey of N'-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-N-propan-2-yloxamide?
The InChIKey is DHBCZLKYEHLATJ-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-5-20-12-7-6-10(4)8-11(12)13(16(20)23)18-19-15(22)14(21)17-9(2)3/h6-9,23H,5H2,1-4H3,(H,17,21)/b19-18+.
What are the key properties of N'-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-N-propan-2-yloxamide?
N'-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-N-propan-2-yloxamide has a molecular weight of 316.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-N-propan-2-yloxamide is sourced from PubChem (CID 135575866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).