2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

C18H17N3O3 — CID 3504473

IUPAC2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESCc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C18H17N3O3/c1-11-7-8-15(12(2)9-11)24-10-16(22)20-21-17-13-5-3-4-6-14(13)19-18(17)23/h3-9,19,23H,10H2,1-2H3/b21-20+
InChIKeyQUXJWSTYANXNKE-QZQOTICOSA-N
MW323.35 g/mol
LogP4.18
Rot. Bonds4

About 2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide

2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (PubChem CID 3504473) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
PubChem CID3504473
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
SMILESCc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C18H17N3O3/c1-11-7-8-15(12(2)9-11)24-10-16(22)20-21-17-13-5-3-4-6-14(13)19-18(17)23/h3-9,19,23H,10H2,1-2H3/b21-20+
InChIKeyQUXJWSTYANXNKE-QZQOTICOSA-N
XLogP4.18
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 54.18
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 2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide (CID 3504473) is 2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is Cc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3ccccc23)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
The InChIKey is QUXJWSTYANXNKE-QZQOTICOSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11-7-8-15(12(2)9-11)24-10-16(22)20-21-17-13-5-3-4-6-14(13)19-18(17)23/h3-9,19,23H,10H2,1-2H3/b21-20+.
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide?
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide has a molecular weight of 323.35 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide is sourced from PubChem (CID 3504473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).