N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C20H21N3O3 — CID 2131419

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)/N=N/c2c(O)[nH]c3ccccc23)c1
InChIInChI=1S/C20H21N3O3/c1-12(2)14-9-8-13(3)10-17(14)26-11-18(24)22-23-19-15-6-4-5-7-16(15)21-20(19)25/h4-10,12,21,25H,11H2,1-3H3/b23-22+
InChIKeyDWIGNLHFQJCNLQ-GHVJWSGMSA-N
MW351.41 g/mol
LogP4.99
Rot. Bonds5

About N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 2131419) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID2131419
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)/N=N/c2c(O)[nH]c3ccccc23)c1
InChIInChI=1S/C20H21N3O3/c1-12(2)14-9-8-13(3)10-17(14)26-11-18(24)22-23-19-15-6-4-5-7-16(15)21-20(19)25/h4-10,12,21,25H,11H2,1-3H3/b23-22+
InChIKeyDWIGNLHFQJCNLQ-GHVJWSGMSA-N
XLogP4.99
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.99
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 2131419) is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)/N=N/c2c(O)[nH]c3ccccc23)c1.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is DWIGNLHFQJCNLQ-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-12(2)14-9-8-13(3)10-17(14)26-11-18(24)22-23-19-15-6-4-5-7-16(15)21-20(19)25/h4-10,12,21,25H,11H2,1-3H3/b23-22+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 351.41 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 2131419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).