[3-(ethylamino)-3-oxopropyl] 2-(4-aminophenoxy)acetate

C13H18N2O4 — CID 62326119

IUPAC[3-(ethylamino)-3-oxopropyl] 2-(4-aminophenoxy)acetate
SMILESCCNC(=O)CCOC(=O)COc1ccc(N)cc1
InChIInChI=1S/C13H18N2O4/c1-2-15-12(16)7-8-18-13(17)9-19-11-5-3-10(14)4-6-11/h3-6H,2,7-9,14H2,1H3,(H,15,16)
InChIKeyRFTOHQJXMMNRCE-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.72
Rot. Bonds7

About [3-(ethylamino)-3-oxopropyl] 2-(4-aminophenoxy)acetate

[3-(ethylamino)-3-oxopropyl] 2-(4-aminophenoxy)acetate (PubChem CID 62326119) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is [3-(ethylamino)-3-oxopropyl] 2-(4-aminophenoxy)acetate.

Molecular Properties

Compound Name[3-(ethylamino)-3-oxopropyl] 2-(4-aminophenoxy)acetate
PubChem CID62326119
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name[3-(ethylamino)-3-oxopropyl] 2-(4-aminophenoxy)acetate
SMILESCCNC(=O)CCOC(=O)COc1ccc(N)cc1
InChIInChI=1S/C13H18N2O4/c1-2-15-12(16)7-8-18-13(17)9-19-11-5-3-10(14)4-6-11/h3-6H,2,7-9,14H2,1H3,(H,15,16)
InChIKeyRFTOHQJXMMNRCE-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [3-(ethylamino)-3-oxopropyl] 2-(4-aminophenoxy)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(ethylamino)-3-oxopropyl] 2-(2-aminophenoxy)acetate
CID 55060432
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate
CID 61485546
3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide
CID 103459992
3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide
CID 113491836
4-[3-(ethylamino)-3-oxopropoxy]benzoic acid
CID 62325269
3-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 60630698
3-(4-aminophenoxy)-N-(2-hydroxy-2-methylbutyl)propanamide
CID 65103759
3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide
CID 61090650
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657
2-[4-[3-(ethylamino)-3-oxopropoxy]phenyl]acetic acid
CID 62325818
N-ethyl-3-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78930612
ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate
CID 61102333

Frequently Asked Questions

What is the IUPAC name of [3-(ethylamino)-3-oxopropyl] 2-(4-aminophenoxy)acetate?
The IUPAC name of [3-(ethylamino)-3-oxopropyl] 2-(4-aminophenoxy)acetate (CID 62326119) is [3-(ethylamino)-3-oxopropyl] 2-(4-aminophenoxy)acetate.
What is the SMILES notation for [3-(ethylamino)-3-oxopropyl] 2-(4-aminophenoxy)acetate?
The canonical SMILES for [3-(ethylamino)-3-oxopropyl] 2-(4-aminophenoxy)acetate is CCNC(=O)CCOC(=O)COc1ccc(N)cc1.
What is the InChIKey of [3-(ethylamino)-3-oxopropyl] 2-(4-aminophenoxy)acetate?
The InChIKey is RFTOHQJXMMNRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-2-15-12(16)7-8-18-13(17)9-19-11-5-3-10(14)4-6-11/h3-6H,2,7-9,14H2,1H3,(H,15,16).
What are the key properties of [3-(ethylamino)-3-oxopropyl] 2-(4-aminophenoxy)acetate?
[3-(ethylamino)-3-oxopropyl] 2-(4-aminophenoxy)acetate 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 [3-(ethylamino)-3-oxopropyl] 2-(4-aminophenoxy)acetate is sourced from PubChem (CID 62326119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).