N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide

C21H17N3O3 — CID 4634793

IUPACN-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide
SMILESCc1ccc2[nH]c(O)c(/N=N/C(=O)COc3cccc4ccccc34)c2c1
InChIInChI=1S/C21H17N3O3/c1-13-9-10-17-16(11-13)20(21(26)22-17)24-23-19(25)12-27-18-8-4-6-14-5-2-3-7-15(14)18/h2-11,22,26H,12H2,1H3/b24-23+
InChIKeyYQKVNGYUDQRIAA-WCWDXBQESA-N
MW359.39 g/mol
LogP5.02
Rot. Bonds4

About N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide

N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide (PubChem CID 4634793) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide
PubChem CID4634793
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide
SMILESCc1ccc2[nH]c(O)c(/N=N/C(=O)COc3cccc4ccccc34)c2c1
InChIInChI=1S/C21H17N3O3/c1-13-9-10-17-16(11-13)20(21(26)22-17)24-23-19(25)12-27-18-8-4-6-14-5-2-3-7-15(14)18/h2-11,22,26H,12H2,1H3/b24-23+
InChIKeyYQKVNGYUDQRIAA-WCWDXBQESA-N
XLogP5.02
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.39
LogP ≤ 55.02
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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Related Compounds

2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 3504473
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 2131419
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-4-propan-2-ylphenoxy)acetamide
CID 1240511
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(2,5-dimethylphenoxy)acetamide
CID 135983081
2-(2,4-dibromo-6-methoxyphenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]acetamide
CID 1043453
3-(3-bromophenoxy)-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]propanamide
CID 4286470
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide
CID 5090132
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(E)-1-(4-methylphenyl)ethylideneamino]oxyacetamide
CID 135576558
2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135802167
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 4922230
2-chloro-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]benzamide
CID 788827
2-(4-chloro-2-iodophenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 1125969

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide (CID 4634793) is N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide is Cc1ccc2[nH]c(O)c(/N=N/C(=O)COc3cccc4ccccc34)c2c1.
What is the InChIKey of N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide?
The InChIKey is YQKVNGYUDQRIAA-WCWDXBQESA-N. The full InChI is InChI=1S/C21H17N3O3/c1-13-9-10-17-16(11-13)20(21(26)22-17)24-23-19(25)12-27-18-8-4-6-14-5-2-3-7-15(14)18/h2-11,22,26H,12H2,1H3/b24-23+.
What are the key properties of N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide?
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide has a molecular weight of 359.39 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 4634793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).