ethyl 2-[2-(3-methylphenoxy)ethylcarbamoylamino]acetate

C14H20N2O4 — CID 47110276

IUPACethyl 2-[2-(3-methylphenoxy)ethylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C14H20N2O4/c1-3-19-13(17)10-16-14(18)15-7-8-20-12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10H2,1-2H3,(H2,15,16,18)
InChIKeyGJVYICGDWHMDOQ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.24
Rot. Bonds7

About ethyl 2-[2-(3-methylphenoxy)ethylcarbamoylamino]acetate

ethyl 2-[2-(3-methylphenoxy)ethylcarbamoylamino]acetate (PubChem CID 47110276) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl 2-[2-(3-methylphenoxy)ethylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-methylphenoxy)ethylcarbamoylamino]acetate
PubChem CID47110276
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nameethyl 2-[2-(3-methylphenoxy)ethylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C14H20N2O4/c1-3-19-13(17)10-16-14(18)15-7-8-20-12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10H2,1-2H3,(H2,15,16,18)
InChIKeyGJVYICGDWHMDOQ-UHFFFAOYSA-N
XLogP1.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.24
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

2-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807719
2-(3-methylphenoxy)ethyl 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 42965613
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 39797454
1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969935
1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 38159345
2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 31326707
1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969922
ethyl 7-[2-(3-fluorophenoxy)ethylcarbamoylamino]heptanoate
CID 55809428
methyl 2-(2-phenoxyethylcarbamoylamino)acetate
CID 108887152
ethyl 2-[3-(3-bromophenoxy)propanoylamino]acetate
CID 54921404
1-[2-(3-tert-butylphenoxy)ethyl]-3-[(3-methylphenyl)methyl]urea
CID 112972688
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-methylphenoxy)ethylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[2-(3-methylphenoxy)ethylcarbamoylamino]acetate (CID 47110276) is ethyl 2-[2-(3-methylphenoxy)ethylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(3-methylphenoxy)ethylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[2-(3-methylphenoxy)ethylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCCOc1cccc(C)c1.
What is the InChIKey of ethyl 2-[2-(3-methylphenoxy)ethylcarbamoylamino]acetate?
The InChIKey is GJVYICGDWHMDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-19-13(17)10-16-14(18)15-7-8-20-12-6-4-5-11(2)9-12/h4-6,9H,3,7-8,10H2,1-2H3,(H2,15,16,18).
What are the key properties of ethyl 2-[2-(3-methylphenoxy)ethylcarbamoylamino]acetate?
ethyl 2-[2-(3-methylphenoxy)ethylcarbamoylamino]acetate has a molecular weight of 280.32 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-methylphenoxy)ethylcarbamoylamino]acetate is sourced from PubChem (CID 47110276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).