ethyl 2-[(2,4-dichlorophenoxy)methylcarbamoylamino]acetate

C12H14Cl2N2O4 — CID 108881148

IUPACethyl 2-[(2,4-dichlorophenoxy)methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O4/c1-2-19-11(17)6-15-12(18)16-7-20-10-4-3-8(13)5-9(10)14/h3-5H,2,6-7H2,1H3,(H2,15,16,18)
InChIKeyNONURFLOKIHPON-UHFFFAOYSA-N
MW321.16 g/mol
LogP2.19
Rot. Bonds6

About ethyl 2-[(2,4-dichlorophenoxy)methylcarbamoylamino]acetate

ethyl 2-[(2,4-dichlorophenoxy)methylcarbamoylamino]acetate (PubChem CID 108881148) has the molecular formula C12H14Cl2N2O4 and a molecular weight of 321.16 g/mol. Its IUPAC name is ethyl 2-[(2,4-dichlorophenoxy)methylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,4-dichlorophenoxy)methylcarbamoylamino]acetate
PubChem CID108881148
Molecular FormulaC12H14Cl2N2O4
Molecular Weight321.16 g/mol
Exact Mass320.03
IUPAC Nameethyl 2-[(2,4-dichlorophenoxy)methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O4/c1-2-19-11(17)6-15-12(18)16-7-20-10-4-3-8(13)5-9(10)14/h3-5H,2,6-7H2,1H3,(H2,15,16,18)
InChIKeyNONURFLOKIHPON-UHFFFAOYSA-N
XLogP2.19
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea
CID 108880980
1-tert-butyl-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880884
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea
CID 108880979
1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880889
1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea
CID 108881118
1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108881154
1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea
CID 108881082
ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 47437686
ethyl 2-[(4-methylphenoxy)methylcarbamoylamino]acetate
CID 108893109
ethyl 2-[(2,4-dichlorophenyl)methylamino]acetate
CID 60680818
1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea
CID 108880841

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,4-dichlorophenoxy)methylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[(2,4-dichlorophenoxy)methylcarbamoylamino]acetate (CID 108881148) is ethyl 2-[(2,4-dichlorophenoxy)methylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(2,4-dichlorophenoxy)methylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(2,4-dichlorophenoxy)methylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCOc1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 2-[(2,4-dichlorophenoxy)methylcarbamoylamino]acetate?
The InChIKey is NONURFLOKIHPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O4/c1-2-19-11(17)6-15-12(18)16-7-20-10-4-3-8(13)5-9(10)14/h3-5H,2,6-7H2,1H3,(H2,15,16,18).
What are the key properties of ethyl 2-[(2,4-dichlorophenoxy)methylcarbamoylamino]acetate?
ethyl 2-[(2,4-dichlorophenoxy)methylcarbamoylamino]acetate has a molecular weight of 321.16 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,4-dichlorophenoxy)methylcarbamoylamino]acetate is sourced from PubChem (CID 108881148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).