2-aminoethanol;ethyl N-(4-ethylphenyl)carbamate;tungsten(2+)

C13H20N2O3W — CID 58256386

IUPAC2-aminoethanol;ethyl N-(4-ethylphenyl)carbamate;tungsten(2+)
SMILESN[CH-]CO.[CH2-]Cc1ccc(NC(=O)OCC)cc1.[W+2]
InChIInChI=1S/C11H14NO2.C2H6NO.W/c1-3-9-5-7-10(8-6-9)12-11(13)14-4-2;3-1-2-4;/h5-8H,1,3-4H2,2H3,(H,12,13);1,4H,2-3H2;/q2*-1;+2
InChIKeyLYMXBOHPJSUFKI-UHFFFAOYSA-N
MW436.15 g/mol
LogP1.73
Rot. Bonds4

About 2-aminoethanol;ethyl N-(4-ethylphenyl)carbamate;tungsten(2+)

2-aminoethanol;ethyl N-(4-ethylphenyl)carbamate;tungsten(2+) (PubChem CID 58256386) has the molecular formula C13H20N2O3W and a molecular weight of 436.15 g/mol. Its IUPAC name is 2-aminoethanol;ethyl N-(4-ethylphenyl)carbamate;tungsten(2+).

Molecular Properties

Compound Name2-aminoethanol;ethyl N-(4-ethylphenyl)carbamate;tungsten(2+)
PubChem CID58256386
Molecular FormulaC13H20N2O3W
Molecular Weight436.15 g/mol
Exact Mass436.10
IUPAC Name2-aminoethanol;ethyl N-(4-ethylphenyl)carbamate;tungsten(2+)
SMILESN[CH-]CO.[CH2-]Cc1ccc(NC(=O)OCC)cc1.[W+2]
InChIInChI=1S/C11H14NO2.C2H6NO.W/c1-3-9-5-7-10(8-6-9)12-11(13)14-4-2;3-1-2-4;/h5-8H,1,3-4H2,2H3,(H,12,13);1,4H,2-3H2;/q2*-1;+2
InChIKeyLYMXBOHPJSUFKI-UHFFFAOYSA-N
XLogP1.73
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.15
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate
CID 60747824
[4-(ethoxycarbonylamino)phenyl]methyl 2-methylpropanoate
CID 162728348
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
ethyl N-[4-(pentan-3-ylamino)phenyl]carbamate
CID 43703992
ethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate
CID 43703857
ethyl N-[4-[(2-propan-2-yloxyacetyl)amino]phenyl]carbamate
CID 47413009
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
CID 40507045
ethyl N-[4-(1,2,2-tricyanoethenylamino)phenyl]carbamate
CID 168606743
ethyl N-[4-(3-methylbutan-2-ylamino)phenyl]carbamate
CID 43703972
ethyl N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]carbamate
CID 112984125

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;ethyl N-(4-ethylphenyl)carbamate;tungsten(2+)?
The IUPAC name of 2-aminoethanol;ethyl N-(4-ethylphenyl)carbamate;tungsten(2+) (CID 58256386) is 2-aminoethanol;ethyl N-(4-ethylphenyl)carbamate;tungsten(2+).
What is the SMILES notation for 2-aminoethanol;ethyl N-(4-ethylphenyl)carbamate;tungsten(2+)?
The canonical SMILES for 2-aminoethanol;ethyl N-(4-ethylphenyl)carbamate;tungsten(2+) is N[CH-]CO.[CH2-]Cc1ccc(NC(=O)OCC)cc1.[W+2].
What is the InChIKey of 2-aminoethanol;ethyl N-(4-ethylphenyl)carbamate;tungsten(2+)?
The InChIKey is LYMXBOHPJSUFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO2.C2H6NO.W/c1-3-9-5-7-10(8-6-9)12-11(13)14-4-2;3-1-2-4;/h5-8H,1,3-4H2,2H3,(H,12,13);1,4H,2-3H2;/q2*-1;+2.
What are the key properties of 2-aminoethanol;ethyl N-(4-ethylphenyl)carbamate;tungsten(2+)?
2-aminoethanol;ethyl N-(4-ethylphenyl)carbamate;tungsten(2+) has a molecular weight of 436.15 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;ethyl N-(4-ethylphenyl)carbamate;tungsten(2+) is sourced from PubChem (CID 58256386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).