[2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate

C13H18N2O4 — CID 61315233

IUPAC[2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate
SMILESCCNC(=O)COC(=O)CCOc1cccc(N)c1
InChIInChI=1S/C13H18N2O4/c1-2-15-12(16)9-19-13(17)6-7-18-11-5-3-4-10(14)8-11/h3-5,8H,2,6-7,9,14H2,1H3,(H,15,16)
InChIKeyIDKSVOSADMSCOS-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.72
Rot. Bonds7

About [2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate

[2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate (PubChem CID 61315233) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate
PubChem CID61315233
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name[2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate
SMILESCCNC(=O)COC(=O)CCOc1cccc(N)c1
InChIInChI=1S/C13H18N2O4/c1-2-15-12(16)9-19-13(17)6-7-18-11-5-3-4-10(14)8-11/h3-5,8H,2,6-7,9,14H2,1H3,(H,15,16)
InChIKeyIDKSVOSADMSCOS-UHFFFAOYSA-N
XLogP0.72
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methylpropylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate
CID 61315041
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 61105154
2-hydroxyethyl 3-(3-aminophenoxy)propanoate
CID 55136295
2-fluoroethyl 3-(3-aminophenoxy)propanoate
CID 80694480
3-ethoxypropyl 3-(3-aminophenoxy)propanoate
CID 65181006
2-(2-methylpropoxy)ethyl 3-(3-aminophenoxy)propanoate
CID 106448500
2-methylbutyl 3-(3-aminophenoxy)propanoate
CID 62103864
3,3,3-trifluoropropyl 3-(3-aminophenoxy)propanoate
CID 64565534
3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide
CID 65039442
3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61093079
cyclopropylmethyl 3-(3-aminophenoxy)propanoate
CID 61309800

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate (CID 61315233) is [2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate is CCNC(=O)COC(=O)CCOc1cccc(N)c1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate?
The InChIKey is IDKSVOSADMSCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-2-15-12(16)9-19-13(17)6-7-18-11-5-3-4-10(14)8-11/h3-5,8H,2,6-7,9,14H2,1H3,(H,15,16).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate?
[2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate has a molecular weight of 266.30 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate is sourced from PubChem (CID 61315233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).