(1-methyl-2H-indol-2-id-3-yl)methyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+)

C18H23N3O3W — CID 58703275

IUPAC(1-methyl-2H-indol-2-id-3-yl)methyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+)
SMILESCn1[c-]c(C[N-]CCC(=O)NOC2CCCCO2)c2ccccc21.[W+2]
InChIInChI=1S/C18H23N3O3.W/c1-21-13-14(15-6-2-3-7-16(15)21)12-19-10-9-17(22)20-24-18-8-4-5-11-23-18;/h2-3,6-7,18H,4-5,8-12H2,1H3,(H,20,22);/q-2;+2
InChIKeyQNNCXZFVEBSLQQ-UHFFFAOYSA-N
MW513.24 g/mol
LogP2.81
Rot. Bonds7

About (1-methyl-2H-indol-2-id-3-yl)methyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+)

(1-methyl-2H-indol-2-id-3-yl)methyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+) (PubChem CID 58703275) has the molecular formula C18H23N3O3W and a molecular weight of 513.24 g/mol. Its IUPAC name is (1-methyl-2H-indol-2-id-3-yl)methyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+).

Molecular Properties

Compound Name(1-methyl-2H-indol-2-id-3-yl)methyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+)
PubChem CID58703275
Molecular FormulaC18H23N3O3W
Molecular Weight513.24 g/mol
Exact Mass513.12
IUPAC Name(1-methyl-2H-indol-2-id-3-yl)methyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+)
SMILESCn1[c-]c(C[N-]CCC(=O)NOC2CCCCO2)c2ccccc21.[W+2]
InChIInChI=1S/C18H23N3O3.W/c1-21-13-14(15-6-2-3-7-16(15)21)12-19-10-9-17(22)20-24-18-8-4-5-11-23-18;/h2-3,6-7,18H,4-5,8-12H2,1H3,(H,20,22);/q-2;+2
InChIKeyQNNCXZFVEBSLQQ-UHFFFAOYSA-N
XLogP2.81
TPSA66.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2-dihydroindol-2-id-3-ylmethyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+)
CID 58703285
N-[(2R)-oxan-2-yl]oxy-1-propylindole-3-carboxamide
CID 99792755
2-(2-ethylbenzimidazol-1-yl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94824376
N-(oxan-2-yloxy)hexanamide
CID 142707517
3-[(1-methyl-2,3-dihydroindol-3-yl)methylamino]-N-(oxan-2-yloxy)propanamide
CID 58703332
N-(2,6-difluorophenyl)-N'-(oxan-2-yloxy)butanediamide
CID 126840011
N-[3-[[(2R)-oxan-2-yl]oxyamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 95285310
N-[(2R)-oxan-2-yl]oxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 94824382
2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine
CID 117061304
N-(oxan-2-yloxy)hex-5-ynamide
CID 163203741
2-(4-methoxyphenyl)-N-[(2R)-oxan-2-yl]oxyacetamide
CID 94817277
6-[2-naphthalen-1-ylethyl(2-pyrrolidin-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide
CID 142707525

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2H-indol-2-id-3-yl)methyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+)?
The IUPAC name of (1-methyl-2H-indol-2-id-3-yl)methyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+) (CID 58703275) is (1-methyl-2H-indol-2-id-3-yl)methyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+).
What is the SMILES notation for (1-methyl-2H-indol-2-id-3-yl)methyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+)?
The canonical SMILES for (1-methyl-2H-indol-2-id-3-yl)methyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+) is Cn1[c-]c(C[N-]CCC(=O)NOC2CCCCO2)c2ccccc21.[W+2].
What is the InChIKey of (1-methyl-2H-indol-2-id-3-yl)methyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+)?
The InChIKey is QNNCXZFVEBSLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3.W/c1-21-13-14(15-6-2-3-7-16(15)21)12-19-10-9-17(22)20-24-18-8-4-5-11-23-18;/h2-3,6-7,18H,4-5,8-12H2,1H3,(H,20,22);/q-2;+2.
What are the key properties of (1-methyl-2H-indol-2-id-3-yl)methyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+)?
(1-methyl-2H-indol-2-id-3-yl)methyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+) has a molecular weight of 513.24 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2H-indol-2-id-3-yl)methyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+) is sourced from PubChem (CID 58703275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).