N-(1-butyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide

C22H25N3O4 — CID 2133928

IUPACN-(1-butyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide
SMILESCCCCn1c(O)c(/N=N/C(=O)COc2ccccc2C)c2cc(OC)ccc21
InChIInChI=1S/C22H25N3O4/c1-4-5-12-25-18-11-10-16(28-3)13-17(18)21(22(25)27)24-23-20(26)14-29-19-9-7-6-8-15(19)2/h6-11,13,27H,4-5,12,14H2,1-3H3/b24-23+
InChIKeyUMRDSIPEUWDVRW-WCWDXBQESA-N
MW395.46 g/mol
LogP5.15
Rot. Bonds8

About N-(1-butyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide

N-(1-butyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide (PubChem CID 2133928) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(1-butyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-butyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide
PubChem CID2133928
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-(1-butyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide
SMILESCCCCn1c(O)c(/N=N/C(=O)COc2ccccc2C)c2cc(OC)ccc21
InChIInChI=1S/C22H25N3O4/c1-4-5-12-25-18-11-10-16(28-3)13-17(18)21(22(25)27)24-23-20(26)14-29-19-9-7-6-8-15(19)2/h6-11,13,27H,4-5,12,14H2,1-3H3/b24-23+
InChIKeyUMRDSIPEUWDVRW-WCWDXBQESA-N
XLogP5.15
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(1-butyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide (CID 2133928) is N-(1-butyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(1-butyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(1-butyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide is CCCCn1c(O)c(/N=N/C(=O)COc2ccccc2C)c2cc(OC)ccc21.
What is the InChIKey of N-(1-butyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide?
The InChIKey is UMRDSIPEUWDVRW-WCWDXBQESA-N. The full InChI is InChI=1S/C22H25N3O4/c1-4-5-12-25-18-11-10-16(28-3)13-17(18)21(22(25)27)24-23-20(26)14-29-19-9-7-6-8-15(19)2/h6-11,13,27H,4-5,12,14H2,1-3H3/b24-23+.
What are the key properties of N-(1-butyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide?
N-(1-butyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide has a molecular weight of 395.46 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-2-hydroxy-5-methoxyindol-3-yl)imino-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 2133928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).