2-[2-(methylcarbamoylamino)ethoxy]ethyl acetate

C8H16N2O4 — CID 58511837

IUPAC2-[2-(methylcarbamoylamino)ethoxy]ethyl acetate
SMILESCNC(=O)NCCOCCOC(C)=O
InChIInChI=1S/C8H16N2O4/c1-7(11)14-6-5-13-4-3-10-8(12)9-2/h3-6H2,1-2H3,(H2,9,10,12)
InChIKeyIQOGIZJHWZEILA-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.50
Rot. Bonds6

About 2-[2-(methylcarbamoylamino)ethoxy]ethyl acetate

2-[2-(methylcarbamoylamino)ethoxy]ethyl acetate (PubChem CID 58511837) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[2-(methylcarbamoylamino)ethoxy]ethyl acetate.

Molecular Properties

Compound Name2-[2-(methylcarbamoylamino)ethoxy]ethyl acetate
PubChem CID58511837
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name2-[2-(methylcarbamoylamino)ethoxy]ethyl acetate
SMILESCNC(=O)NCCOCCOC(C)=O
InChIInChI=1S/C8H16N2O4/c1-7(11)14-6-5-13-4-3-10-8(12)9-2/h3-6H2,1-2H3,(H2,9,10,12)
InChIKeyIQOGIZJHWZEILA-UHFFFAOYSA-N
XLogP-0.50
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-{[(2-ethoxy-2-oxoethyl)carbamoyl]amino}acetate
CID 251730
Ethyl N'-isopropylureidoacetate
CID 541544
[1-[(2-Acetyloxy-3-methoxypropyl)carbamoylamino]-3-methoxypropan-2-yl] acetate
CID 162417920
Ethyl 2-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]acetate
CID 103082401
Ethyl 2-acetamido-2-(ethylamino)acetate
CID 14860688
N-[(Butylamino)carbonyl]glycine, ethyl ester
CID 14885219
N-[1-acetamido-2-(2-ethoxyethoxy)ethyl]acetamide
CID 17810408
2-(Carbamoylamino)ethyl acetate
CID 19086267
Ethyl 2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]acetate
CID 20092413
2-[[Ethyl(methyl)carbamoyl]amino]ethyl acetate
CID 20617620
2-(2-Ethoxyethoxy)ethylurea
CID 22354062
1-Ethyl-3-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]urea
CID 22381130

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylcarbamoylamino)ethoxy]ethyl acetate?
The IUPAC name of 2-[2-(methylcarbamoylamino)ethoxy]ethyl acetate (CID 58511837) is 2-[2-(methylcarbamoylamino)ethoxy]ethyl acetate.
What is the SMILES notation for 2-[2-(methylcarbamoylamino)ethoxy]ethyl acetate?
The canonical SMILES for 2-[2-(methylcarbamoylamino)ethoxy]ethyl acetate is CNC(=O)NCCOCCOC(C)=O.
What is the InChIKey of 2-[2-(methylcarbamoylamino)ethoxy]ethyl acetate?
The InChIKey is IQOGIZJHWZEILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-7(11)14-6-5-13-4-3-10-8(12)9-2/h3-6H2,1-2H3,(H2,9,10,12).
What are the key properties of 2-[2-(methylcarbamoylamino)ethoxy]ethyl acetate?
2-[2-(methylcarbamoylamino)ethoxy]ethyl acetate has a molecular weight of 204.23 g/mol, XLogP of -0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylcarbamoylamino)ethoxy]ethyl acetate is sourced from PubChem (CID 58511837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).