[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate

C15H18Cl2N2O5 — CID 2557094

IUPAC[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N2O5/c1-9(2)6-18-15(22)19-13(20)7-24-14(21)8-23-12-4-3-10(16)5-11(12)17/h3-5,9H,6-8H2,1-2H3,(H2,18,19,20,22)
InChIKeyBXEOFSNAGAHBPE-UHFFFAOYSA-N
MW377.22 g/mol
LogP2.40
Rot. Bonds7

About [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate (PubChem CID 2557094) has the molecular formula C15H18Cl2N2O5 and a molecular weight of 377.22 g/mol. Its IUPAC name is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
PubChem CID2557094
Molecular FormulaC15H18Cl2N2O5
Molecular Weight377.22 g/mol
Exact Mass376.06
IUPAC Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
SMILESCC(C)CNC(=O)NC(=O)COC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H18Cl2N2O5/c1-9(2)6-18-15(22)19-13(20)7-24-14(21)8-23-12-4-3-10(16)5-11(12)17/h3-5,9H,6-8H2,1-2H3,(H2,18,19,20,22)
InChIKeyBXEOFSNAGAHBPE-UHFFFAOYSA-N
XLogP2.40
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.22
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate (CID 2557094) is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate is CC(C)CNC(=O)NC(=O)COC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is BXEOFSNAGAHBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O5/c1-9(2)6-18-15(22)19-13(20)7-24-14(21)8-23-12-4-3-10(16)5-11(12)17/h3-5,9H,6-8H2,1-2H3,(H2,18,19,20,22).
What are the key properties of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 377.22 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 2557094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).