[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate

C13H14ClNO4 — CID 2521201

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1)NC1CC1
InChIInChI=1S/C13H14ClNO4/c14-9-1-5-11(6-2-9)18-8-13(17)19-7-12(16)15-10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H,15,16)
InChIKeyYYCLWEVEXJBXJI-UHFFFAOYSA-N
MW283.71 g/mol
LogP1.54
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate

[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate (PubChem CID 2521201) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
PubChem CID2521201
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1)NC1CC1
InChIInChI=1S/C13H14ClNO4/c14-9-1-5-11(6-2-9)18-8-13(17)19-7-12(16)15-10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H,15,16)
InChIKeyYYCLWEVEXJBXJI-UHFFFAOYSA-N
XLogP1.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Meclofenoxate
CID 4039
2-(4-Chlorophenoxy)-N-(2-(diethylamino)ethyl)acetamide
CID 28554
5-[(4-Chlorophenoxy)methyl]-1,3-oxazolidin-2-one
CID 328968
Acetamide, 2-(4-chlorophenoxy)-N-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride
CID 3052206
4-(4-Chlorophenoxy)-N-[(3s)-2-Oxotetrahydrofuran-3-Yl]butanamide
CID 50990927
N-cyclopropyl-2-(2,3-dichlorophenoxy)acetamide
CID 2602935
2-(4-chlorophenoxy)-N-cyclohexyl-2-methylpropanamide
CID 5070146
2-(4-chlorophenoxy)-N-(4-(2-(4-chlorophenoxy)acetamido)cyclohexyl)acetamide
CID 1011240
[2-Oxo-2-(prop-2-enylamino)ethyl] 2-(4-chlorophenoxy)acetate
CID 2432738
[2-(Cyclopentylamino)-2-oxoethyl] 2-phenoxyacetate
CID 2507035
[4-(4-Chlorophenoxy)-2-butyn-1-yl]isopropylamine oxalate
CID 2961051
2-(4-chlorophenoxy)-N-cyclopentylbutanamide
CID 6473403

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate (CID 2521201) is [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate is O=C(COC(=O)COc1ccc(Cl)cc1)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The InChIKey is YYCLWEVEXJBXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4/c14-9-1-5-11(6-2-9)18-8-13(17)19-7-12(16)15-10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H,15,16).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate has a molecular weight of 283.71 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 2521201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).