[2-(cyclopropylamino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate

C16H21NO5 — CID 16535304

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
SMILESCCOc1ccc(OCCC(=O)OCC(=O)NC2CC2)cc1
InChIInChI=1S/C16H21NO5/c1-2-20-13-5-7-14(8-6-13)21-10-9-16(19)22-11-15(18)17-12-3-4-12/h5-8,12H,2-4,9-11H2,1H3,(H,17,18)
InChIKeyGSALBOTWNUWMQC-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.68
Rot. Bonds9

About [2-(cyclopropylamino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate

[2-(cyclopropylamino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate (PubChem CID 16535304) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
PubChem CID16535304
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
SMILESCCOc1ccc(OCCC(=O)OCC(=O)NC2CC2)cc1
InChIInChI=1S/C16H21NO5/c1-2-20-13-5-7-14(8-6-13)21-10-9-16(19)22-11-15(18)17-12-3-4-12/h5-8,12H,2-4,9-11H2,1H3,(H,17,18)
InChIKeyGSALBOTWNUWMQC-UHFFFAOYSA-N
XLogP1.68
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Mefexamide
CID 4045
N-cyclohexyl-2-phenoxyacetamide
CID 832666
N-cyclooctyl-2-(4-methoxyphenoxy)acetamide
CID 774454
3-Methyl-2-(2-phenoxyacetamido)butanoic acid
CID 2942249
(2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid
CID 749024
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2344647
[2-(Cyclopentylamino)-2-oxoethyl] 2-phenoxyacetate
CID 2507035
2-(4-phenoxyphenoxy)-N-prop-2-enylacetamide
CID 2533627
[1-(Cyclopentylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 4216860
2-(4-methoxyphenoxy)-N-(6-{[(4-methoxyphenoxy)acetyl]amino}hexyl)acetamide
CID 4558233
[2-(Cyclopentylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139575
[1-(Cyclopentylamino)-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 16342978

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate (CID 16535304) is [2-(cyclopropylamino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate is CCOc1ccc(OCCC(=O)OCC(=O)NC2CC2)cc1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate?
The InChIKey is GSALBOTWNUWMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-2-20-13-5-7-14(8-6-13)21-10-9-16(19)22-11-15(18)17-12-3-4-12/h5-8,12H,2-4,9-11H2,1H3,(H,17,18).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate?
[2-(cyclopropylamino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate has a molecular weight of 307.35 g/mol, XLogP of 1.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate is sourced from PubChem (CID 16535304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).