N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2-(2-methoxyphenoxy)acetamide

C19H17N3O6 — CID 135674756

IUPACN-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)/N=N/c1c(O)[nH]c2cc3c(cc12)OCCO3
InChIInChI=1S/C19H17N3O6/c1-25-13-4-2-3-5-14(13)28-10-17(23)21-22-18-11-8-15-16(27-7-6-26-15)9-12(11)20-19(18)24/h2-5,8-9,20,24H,6-7,10H2,1H3/b22-21+
InChIKeyJNLNPYGCKKYFQC-QURGRASLSA-N
MW383.36 g/mol
LogP3.34
Rot. Bonds5

About N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2-(2-methoxyphenoxy)acetamide

N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2-(2-methoxyphenoxy)acetamide (PubChem CID 135674756) has the molecular formula C19H17N3O6 and a molecular weight of 383.36 g/mol. Its IUPAC name is N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2-(2-methoxyphenoxy)acetamide
PubChem CID135674756
Molecular FormulaC19H17N3O6
Molecular Weight383.36 g/mol
Exact Mass383.11
IUPAC NameN-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)/N=N/c1c(O)[nH]c2cc3c(cc12)OCCO3
InChIInChI=1S/C19H17N3O6/c1-25-13-4-2-3-5-14(13)28-10-17(23)21-22-18-11-8-15-16(27-7-6-26-15)9-12(11)20-19(18)24/h2-5,8-9,20,24H,6-7,10H2,1H3/b22-21+
InChIKeyJNLNPYGCKKYFQC-QURGRASLSA-N
XLogP3.34
TPSA114.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 53.34
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'}

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Related Compounds

N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-3,4,5-trimethoxybenzamide
CID 135710506
1-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-3-(2-methoxyphenyl)thiourea
CID 135731272
N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1H-pyrrole-2-carboxamide
CID 135771128
2-(1-adamantyl)-N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]acetamide
CID 135816254
N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]-2-naphthalen-1-yloxyacetamide
CID 4634793
N-[(2-hydroxy-7-methyl-5-nitro-1H-indol-3-yl)imino]-2-(2-methoxyphenoxy)acetamide
CID 3500750
9-[(3-methoxyphenyl)diazenyl]-2,3,4,7-tetrahydro-[1,4]dioxepino[2,3-f]indol-8-ol
CID 136666218
N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-1,3-benzodioxole-5-carboxamide
CID 135710574
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 3504473
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)ethanone
CID 7834366
8-[(2-nitrophenyl)diazenyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ol
CID 135755077
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide
CID 5090132

Frequently Asked Questions

What is the IUPAC name of N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2-(2-methoxyphenoxy)acetamide (CID 135674756) is N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)/N=N/c1c(O)[nH]c2cc3c(cc12)OCCO3.
What is the InChIKey of N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is JNLNPYGCKKYFQC-QURGRASLSA-N. The full InChI is InChI=1S/C19H17N3O6/c1-25-13-4-2-3-5-14(13)28-10-17(23)21-22-18-11-8-15-16(27-7-6-26-15)9-12(11)20-19(18)24/h2-5,8-9,20,24H,6-7,10H2,1H3/b22-21+.
What are the key properties of N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2-(2-methoxyphenoxy)acetamide?
N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 383.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-hydroxy-3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)imino]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 135674756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).