N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide

C18H16N4O6 — CID 3500750

IUPACN-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)/N=N/c1c(O)[nH]c2c(C)cc([N+](=O)[O-])cc12
InChIInChI=1S/C18H16N4O6/c1-10-7-11(22(25)26)8-12-16(10)19-18(24)17(12)21-20-15(23)9-28-14-6-4-3-5-13(14)27-2/h3-8,19,24H,9H2,1-2H3/b21-20+
InChIKeySXORKCUMMDIBES-QZQOTICOSA-N
MW384.35 g/mol
LogP3.79
Rot. Bonds6

About N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide

N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide (PubChem CID 3500750) has the molecular formula C18H16N4O6 and a molecular weight of 384.35 g/mol. Its IUPAC name is N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide
PubChem CID3500750
Molecular FormulaC18H16N4O6
Molecular Weight384.35 g/mol
Exact Mass384.11
IUPAC NameN-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)/N=N/c1c(O)[nH]c2c(C)cc([N+](=O)[O-])cc12
InChIInChI=1S/C18H16N4O6/c1-10-7-11(22(25)26)8-12-16(10)19-18(24)17(12)21-20-15(23)9-28-14-6-4-3-5-13(14)27-2/h3-8,19,24H,9H2,1-2H3/b21-20+
InChIKeySXORKCUMMDIBES-QZQOTICOSA-N
XLogP3.79
TPSA139.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide
CID 4543096
N-[(5-bromo-2-hydroxy-7-methyl-1H-indol-3-yl)imino]-2-(2-methylphenoxy)acetamide
CID 1126524
N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-4-methylbenzamide
CID 5197654
N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]-2-(4-methylphenoxy)acetamide
CID 3566388
N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2-(2-methoxyphenoxy)acetamide
CID 135674756
2-(4-fluorophenoxy)-N-[(2-hydroxy-5,7-dimethyl-1H-indol-3-yl)imino]acetamide
CID 135620348
2-(2-benzylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide
CID 135576133
N-[(6-bromo-2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-(4-nitrophenoxy)acetamide
CID 3480340
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 3504473
N-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)imino]-2-(2-methylphenoxy)acetamide
CID 2846909
2-(4-tert-butylphenoxy)-N-[(2-hydroxy-7-methyl-1H-indol-3-yl)imino]acetamide
CID 135551915
N,N'-bis[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]octanediamide
CID 135544236

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide (CID 3500750) is N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)/N=N/c1c(O)[nH]c2c(C)cc([N+](=O)[O-])cc12.
What is the InChIKey of N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is SXORKCUMMDIBES-QZQOTICOSA-N. The full InChI is InChI=1S/C18H16N4O6/c1-10-7-11(22(25)26)8-12-16(10)19-18(24)17(12)21-20-15(23)9-28-14-6-4-3-5-13(14)27-2/h3-8,19,24H,9H2,1-2H3/b21-20+.
What are the key properties of N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide?
N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 384.35 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 3500750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).