N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminohexanamide

C16H21N3O3 — CID 4504327

IUPACN-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminohexanamide
SMILESCCCCCC(=O)/N=N/c1c(O)n(C)c2ccc(OC)cc12
InChIInChI=1S/C16H21N3O3/c1-4-5-6-7-14(20)17-18-15-12-10-11(22-3)8-9-13(12)19(2)16(15)21/h8-10,21H,4-7H2,1-3H3/b18-17+
InChIKeyXVAYWPSJLRLKDV-ISLYRVAYSA-N
MW303.36 g/mol
LogP4.08
Rot. Bonds6

About N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminohexanamide

N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminohexanamide (PubChem CID 4504327) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminohexanamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminohexanamide
PubChem CID4504327
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminohexanamide
SMILESCCCCCC(=O)/N=N/c1c(O)n(C)c2ccc(OC)cc12
InChIInChI=1S/C16H21N3O3/c1-4-5-6-7-14(20)17-18-15-12-10-11(22-3)8-9-13(12)19(2)16(15)21/h8-10,21H,4-7H2,1-3H3/b18-17+
InChIKeyXVAYWPSJLRLKDV-ISLYRVAYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethyl-2-hydroxy-5-methoxyindol-3-yl)iminopentanamide
CID 4504812
4-(2,4-dichlorophenoxy)-N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminobutanamide
CID 4503940
N,N'-bis[(2-hydroxy-1,5-dimethylindol-3-yl)imino]hexanediamide
CID 4500205
2-chloro-N-[6-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-6-oxohexyl]benzamide
CID 4504332
N,N'-bis[(2-hydroxy-5-methoxy-1-propan-2-ylindol-3-yl)imino]pentanediamide
CID 4505123
N-[2-[(2-hydroxy-5-methoxy-1-methylindol-3-yl)diazenyl]-2-oxoethyl]benzamide
CID 4504322
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-methoxy-1-pentylindol-3-yl)iminoacetamide
CID 4506316
1-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminoguanidine
CID 4113708
N,N'-bis[(2-hydroxy-5-methyl-1-pentylindol-3-yl)imino]butanediamide
CID 4502441
N-(2-hydroxy-5-methyl-1-propan-2-ylindol-3-yl)iminooctanamide
CID 4501232
2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide
CID 4505477
2-cyclohexyl-N-(2-hydroxy-6-methoxy-1-pentylindol-3-yl)iminoacetamide
CID 135924644

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminohexanamide?
The IUPAC name of N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminohexanamide (CID 4504327) is N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminohexanamide.
What is the SMILES notation for N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminohexanamide?
The canonical SMILES for N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminohexanamide is CCCCCC(=O)/N=N/c1c(O)n(C)c2ccc(OC)cc12.
What is the InChIKey of N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminohexanamide?
The InChIKey is XVAYWPSJLRLKDV-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-5-6-7-14(20)17-18-15-12-10-11(22-3)8-9-13(12)19(2)16(15)21/h8-10,21H,4-7H2,1-3H3/b18-17+.
What are the key properties of N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminohexanamide?
N-(2-hydroxy-5-methoxy-1-methylindol-3-yl)iminohexanamide has a molecular weight of 303.36 g/mol, XLogP of 4.08, 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-methylindol-3-yl)iminohexanamide is sourced from PubChem (CID 4504327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).