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

C15H18ClNO4 — CID 2338213

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1)NC1CCCC1
InChIInChI=1S/C15H18ClNO4/c16-11-5-7-13(8-6-11)20-10-15(19)21-9-14(18)17-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,17,18)
InChIKeyIMSRLCLASAVXTC-UHFFFAOYSA-N
MW311.76 g/mol
LogP2.32
Rot. Bonds6

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

[2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate (PubChem CID 2338213) has the molecular formula C15H18ClNO4 and a molecular weight of 311.76 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
PubChem CID2338213
Molecular FormulaC15H18ClNO4
Molecular Weight311.76 g/mol
Exact Mass311.09
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1)NC1CCCC1
InChIInChI=1S/C15H18ClNO4/c16-11-5-7-13(8-6-11)20-10-15(19)21-9-14(18)17-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,17,18)
InChIKeyIMSRLCLASAVXTC-UHFFFAOYSA-N
XLogP2.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.76
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
[1-(Cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 4216860
[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 4242947
2-(4-chlorophenoxy)-N-cyclopentylbutanamide
CID 6473403

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate (CID 2338213) is [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate is O=C(COC(=O)COc1ccc(Cl)cc1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
The InChIKey is IMSRLCLASAVXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO4/c16-11-5-7-13(8-6-11)20-10-15(19)21-9-14(18)17-12-3-1-2-4-12/h5-8,12H,1-4,9-10H2,(H,17,18).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate?
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate has a molecular weight of 311.76 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 2338213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).