N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide

C18H17N3O4 — CID 788848

IUPACN-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)/N=N/c2c(O)n(C)c3ccccc23)cc1
InChIInChI=1S/C18H17N3O4/c1-21-15-6-4-3-5-14(15)17(18(21)23)20-19-16(22)11-25-13-9-7-12(24-2)8-10-13/h3-10,23H,11H2,1-2H3/b20-19+
InChIKeyCYTAYXVAPLIZKJ-FMQUCBEESA-N
MW339.35 g/mol
LogP3.58
Rot. Bonds5

About N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide

N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide (PubChem CID 788848) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide
PubChem CID788848
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)/N=N/c2c(O)n(C)c3ccccc23)cc1
InChIInChI=1S/C18H17N3O4/c1-21-15-6-4-3-5-14(15)17(18(21)23)20-19-16(22)11-25-13-9-7-12(24-2)8-10-13/h3-10,23H,11H2,1-2H3/b20-19+
InChIKeyCYTAYXVAPLIZKJ-FMQUCBEESA-N
XLogP3.58
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.58
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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Related Compounds

CID 1914145
CID 1914145
CID 135881484
CID 135881484
CID 135924639
CID 135924639
CID 135924640
CID 135924640
CID 135924641
CID 135924641
CID 135924642
CID 135924642
CID 135924643
CID 135924643
CID 135924644
CID 135924644
CID 135924645
CID 135924645
CID 135924646
CID 135924646
CID 135924647
CID 135924647
CID 674570
CID 674570

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide (CID 788848) is N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)/N=N/c2c(O)n(C)c3ccccc23)cc1.
What is the InChIKey of N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide?
The InChIKey is CYTAYXVAPLIZKJ-FMQUCBEESA-N. The full InChI is InChI=1S/C18H17N3O4/c1-21-15-6-4-3-5-14(15)17(18(21)23)20-19-16(22)11-25-13-9-7-12(24-2)8-10-13/h3-10,23H,11H2,1-2H3/b20-19+.
What are the key properties of N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide?
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide has a molecular weight of 339.35 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 788848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).