N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide

C16H21N3O3 — CID 4504812

IUPACN-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide
SMILESCCCCC(=O)/N=N/c1c(O)n(CC)c2ccc(OC)cc12
InChIInChI=1S/C16H21N3O3/c1-4-6-7-14(20)17-18-15-12-10-11(22-3)8-9-13(12)19(5-2)16(15)21/h8-10,21H,4-7H2,1-3H3/b18-17+
InChIKeyJCRUXWZGDRGWSR-ISLYRVAYSA-N
MW303.36 g/mol
LogP4.18
Rot. Bonds6

About N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide

N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide (PubChem CID 4504812) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide.

Molecular Properties

Compound NameN-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide
PubChem CID4504812
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide
SMILESCCCCC(=O)/N=N/c1c(O)n(CC)c2ccc(OC)cc12
InChIInChI=1S/C16H21N3O3/c1-4-6-7-14(20)17-18-15-12-10-11(22-3)8-9-13(12)19(5-2)16(15)21/h8-10,21H,4-7H2,1-3H3/b18-17+
InChIKeyJCRUXWZGDRGWSR-ISLYRVAYSA-N
XLogP4.18
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.18
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'}

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Related Compounds

N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminohexanamide
CID 4504327
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide
CID 4504457
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-4-methylbenzamide
CID 4504817
N,N'-bis[(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)imino]pentanediamide
CID 4505123
N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide
CID 4502441
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide
CID 4506316
2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide
CID 4505477
N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)imino-2-(3-methoxyanilino)acetamide
CID 166435290
1-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)imino-3-(4-sulfamoylphenyl)thiourea
CID 137197131
4-(2,4-dichlorophenoxy)-N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminobutanamide
CID 4503940
2-(4-cyanophenoxy)-N-(1-ethyl-2-hydroxy-5-methylindol-3-yl)iminoacetamide
CID 135838548
N-(5-bromo-2-hydroxy-1-pentylindol-3-yl)imino-2-(4-bromophenoxy)acetamide
CID 135604171

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide?
The IUPAC name of N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide (CID 4504812) is N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide.
What is the SMILES notation for N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide?
The canonical SMILES for N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide is CCCCC(=O)/N=N/c1c(O)n(CC)c2ccc(OC)cc12.
What is the InChIKey of N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide?
The InChIKey is JCRUXWZGDRGWSR-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-6-7-14(20)17-18-15-12-10-11(22-3)8-9-13(12)19(5-2)16(15)21/h8-10,21H,4-7H2,1-3H3/b18-17+.
What are the key properties of N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide?
N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide has a molecular weight of 303.36 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide is sourced from PubChem (CID 4504812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).