ethyl 2-[(2,6-dimethylphenyl)carbamoylamino]acetate

C13H18N2O3 — CID 4987937

IUPACethyl 2-[(2,6-dimethylphenyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C13H18N2O3/c1-4-18-11(16)8-14-13(17)15-12-9(2)6-5-7-10(12)3/h5-7H,4,8H2,1-3H3,(H2,14,15,17)
InChIKeyZLKXVTFVVBQGOS-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.99
Rot. Bonds4

About ethyl 2-[(2,6-dimethylphenyl)carbamoylamino]acetate

ethyl 2-[(2,6-dimethylphenyl)carbamoylamino]acetate (PubChem CID 4987937) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 2-[(2,6-dimethylphenyl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,6-dimethylphenyl)carbamoylamino]acetate
PubChem CID4987937
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl 2-[(2,6-dimethylphenyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C13H18N2O3/c1-4-18-11(16)8-14-13(17)15-12-9(2)6-5-7-10(12)3/h5-7H,4,8H2,1-3H3,(H2,14,15,17)
InChIKeyZLKXVTFVVBQGOS-UHFFFAOYSA-N
XLogP1.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,6-dimethylphenyl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(2,6-dimethylphenyl)carbamoylamino]acetate (CID 4987937) is ethyl 2-[(2,6-dimethylphenyl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(2,6-dimethylphenyl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(2,6-dimethylphenyl)carbamoylamino]acetate is CCOC(=O)CNC(=O)Nc1c(C)cccc1C.
What is the InChIKey of ethyl 2-[(2,6-dimethylphenyl)carbamoylamino]acetate?
The InChIKey is ZLKXVTFVVBQGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-18-11(16)8-14-13(17)15-12-9(2)6-5-7-10(12)3/h5-7H,4,8H2,1-3H3,(H2,14,15,17).
What are the key properties of ethyl 2-[(2,6-dimethylphenyl)carbamoylamino]acetate?
ethyl 2-[(2,6-dimethylphenyl)carbamoylamino]acetate has a molecular weight of 250.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,6-dimethylphenyl)carbamoylamino]acetate is sourced from PubChem (CID 4987937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).