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

C17H15N3O3 — CID 759814

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C17H15N3O3/c1-23-12-8-6-11(7-9-12)10-15(21)19-20-16-13-4-2-3-5-14(13)18-17(16)22/h2-9,18,22H,10H2,1H3/b20-19+
InChIKeyJZLWKWZZJZHXHS-FMQUCBEESA-N
MW309.33 g/mol
LogP3.74
Rot. Bonds4

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

N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenyl)acetamide (PubChem CID 759814) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenyl)acetamide
PubChem CID759814
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C17H15N3O3/c1-23-12-8-6-11(7-9-12)10-15(21)19-20-16-13-4-2-3-5-14(13)18-17(16)22/h2-9,18,22H,10H2,1H3/b20-19+
InChIKeyJZLWKWZZJZHXHS-FMQUCBEESA-N
XLogP3.74
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.74
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-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenyl)acetamide (CID 759814) is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)/N=N/c2c(O)[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenyl)acetamide?
The InChIKey is JZLWKWZZJZHXHS-FMQUCBEESA-N. The full InChI is InChI=1S/C17H15N3O3/c1-23-12-8-6-11(7-9-12)10-15(21)19-20-16-13-4-2-3-5-14(13)18-17(16)22/h2-9,18,22H,10H2,1H3/b20-19+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenyl)acetamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-methoxyphenyl)acetamide has a molecular weight of 309.33 g/mol, XLogP of 3.74, 4 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-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 759814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).