1,2-dihydroindol-2-id-3-ylmethyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+)

C17H21N3O3W — CID 58703285

IUPAC1,2-dihydroindol-2-id-3-ylmethyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+)
SMILESO=C(CC[N-]Cc1[c-][nH]c2ccccc12)NOC1CCCCO1.[W+2]
InChIInChI=1S/C17H21N3O3.W/c21-16(20-23-17-7-3-4-10-22-17)8-9-18-11-13-12-19-15-6-2-1-5-14(13)15;/h1-2,5-6,17,19H,3-4,7-11H2,(H,20,21);/q-2;+2
InChIKeyRWTVXXZEVXQXDV-UHFFFAOYSA-N
MW499.21 g/mol
LogP2.80
Rot. Bonds7

About 1,2-dihydroindol-2-id-3-ylmethyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+)

1,2-dihydroindol-2-id-3-ylmethyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+) (PubChem CID 58703285) has the molecular formula C17H21N3O3W and a molecular weight of 499.21 g/mol. Its IUPAC name is 1,2-dihydroindol-2-id-3-ylmethyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+).

Molecular Properties

Compound Name1,2-dihydroindol-2-id-3-ylmethyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+)
PubChem CID58703285
Molecular FormulaC17H21N3O3W
Molecular Weight499.21 g/mol
Exact Mass499.11
IUPAC Name1,2-dihydroindol-2-id-3-ylmethyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+)
SMILESO=C(CC[N-]Cc1[c-][nH]c2ccccc12)NOC1CCCCO1.[W+2]
InChIInChI=1S/C17H21N3O3.W/c21-16(20-23-17-7-3-4-10-22-17)8-9-18-11-13-12-19-15-6-2-1-5-14(13)15;/h1-2,5-6,17,19H,3-4,7-11H2,(H,20,21);/q-2;+2
InChIKeyRWTVXXZEVXQXDV-UHFFFAOYSA-N
XLogP2.80
TPSA77.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.21
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methyl-2H-indol-2-id-3-yl)methyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+)
CID 58703275
N-(oxan-2-yloxy)hexanamide
CID 142707517
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-(oxan-2-yloxy)hex-5-ynamide
CID 163203741
6-[3-hydroxypropyl(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide
CID 142707528
6-[4-(dimethylamino)butanoyl-(2-naphthalen-1-ylethyl)amino]-N-(oxan-2-yloxy)hexanamide
CID 142707447
N-[(2R)-oxan-2-yl]oxy-1-propylindole-3-carboxamide
CID 99792755
2-methyl-N-(oxan-2-yloxy)-1-phenylprop-1-en-1-amine
CID 117061304
(2R)-2-acetamido-3-(1H-indol-3-yl)-N-[(2S)-oxan-2-yl]oxypropanamide
CID 94824186
6-[2-naphthalen-1-ylethyl(4-phenylbutanoyl)amino]-N-(oxan-2-yloxy)hexanamide
CID 142707440
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 1,2-dihydroindol-2-id-3-ylmethyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+)?
The IUPAC name of 1,2-dihydroindol-2-id-3-ylmethyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+) (CID 58703285) is 1,2-dihydroindol-2-id-3-ylmethyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+).
What is the SMILES notation for 1,2-dihydroindol-2-id-3-ylmethyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+)?
The canonical SMILES for 1,2-dihydroindol-2-id-3-ylmethyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+) is O=C(CC[N-]Cc1[c-][nH]c2ccccc12)NOC1CCCCO1.[W+2].
What is the InChIKey of 1,2-dihydroindol-2-id-3-ylmethyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+)?
The InChIKey is RWTVXXZEVXQXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3.W/c21-16(20-23-17-7-3-4-10-22-17)8-9-18-11-13-12-19-15-6-2-1-5-14(13)15;/h1-2,5-6,17,19H,3-4,7-11H2,(H,20,21);/q-2;+2.
What are the key properties of 1,2-dihydroindol-2-id-3-ylmethyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+)?
1,2-dihydroindol-2-id-3-ylmethyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+) has a molecular weight of 499.21 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroindol-2-id-3-ylmethyl-[3-(oxan-2-yloxyamino)-3-oxopropyl]azanide;tungsten(2+) is sourced from PubChem (CID 58703285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).