N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide

C19H19N3O3 — CID 3566388

IUPACN-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3c(C)cc(C)cc23)cc1
InChIInChI=1S/C19H19N3O3/c1-11-4-6-14(7-5-11)25-10-16(23)21-22-18-15-9-12(2)8-13(3)17(15)20-19(18)24/h4-9,20,24H,10H2,1-3H3/b22-21+
InChIKeyKSYFLEHMIPMHJE-QURGRASLSA-N
MW337.38 g/mol
LogP4.49
Rot. Bonds4

About N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide

N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide (PubChem CID 3566388) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide
PubChem CID3566388
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3c(C)cc(C)cc23)cc1
InChIInChI=1S/C19H19N3O3/c1-11-4-6-14(7-5-11)25-10-16(23)21-22-18-15-9-12(2)8-13(3)17(15)20-19(18)24/h4-9,20,24H,10H2,1-3H3/b22-21+
InChIKeyKSYFLEHMIPMHJE-QURGRASLSA-N
XLogP4.49
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.49
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-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide
CID 135620348
N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(2-oxochromen-7-yl)oxyacetamide
CID 137179326
2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide
CID 135551915
ethyl N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]carbamate
CID 135557738
2-(4-ethylphenoxy)-N-[(2-hydroxy-6,7-dimethyl-1H-indol-3-yl)imino]acetamide
CID 135883396
4-[(4-chlorophenyl)methoxy]-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]benzamide
CID 3607032
N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide
CID 1126524
N-[(7-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 1381525
N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide
CID 4543096
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 3504473
N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide
CID 3500750
1-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-3-methylthiourea
CID 135758806

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide (CID 3566388) is N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3c(C)cc(C)cc23)cc1.
What is the InChIKey of N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide?
The InChIKey is KSYFLEHMIPMHJE-QURGRASLSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-11-4-6-14(7-5-11)25-10-16(23)21-22-18-15-9-12(2)8-13(3)17(15)20-19(18)24/h4-9,20,24H,10H2,1-3H3/b22-21+.
What are the key properties of N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide?
N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide has a molecular weight of 337.38 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 3566388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).