[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate

C15H18N2O6 — CID 9197712

IUPAC[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
SMILESCCNC(=O)CNC(=O)COC(=O)COc1ccccc1C=O
InChIInChI=1S/C15H18N2O6/c1-2-16-13(19)7-17-14(20)9-23-15(21)10-22-12-6-4-3-5-11(12)8-18/h3-6,8H,2,7,9-10H2,1H3,(H,16,19)(H,17,20)
InChIKeyWKOCNUZVPFOTOB-UHFFFAOYSA-N
MW322.32 g/mol
LogP-0.33
Rot. Bonds9

About [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate

[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate (PubChem CID 9197712) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate.

Molecular Properties

Compound Name[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
PubChem CID9197712
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
SMILESCCNC(=O)CNC(=O)COC(=O)COc1ccccc1C=O
InChIInChI=1S/C15H18N2O6/c1-2-16-13(19)7-17-14(20)9-23-15(21)10-22-12-6-4-3-5-11(12)8-18/h3-6,8H,2,7,9-10H2,1H3,(H,16,19)(H,17,20)
InChIKeyWKOCNUZVPFOTOB-UHFFFAOYSA-N
XLogP-0.33
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[[(2R)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 9197744
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 8581872
methyl 2-(2-formylphenoxy)acetate
CID 5151625
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8609898
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8609973
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8648600
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-formylphenoxy)acetate
CID 8609788
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8608301
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 9405476
N-(2,3-dimethylphenyl)-2-[[2-(2-formylphenoxy)acetyl]amino]acetamide
CID 7763027
2-(2-aminophenoxy)-N-ethylacetamide
CID 16776803
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2-formylphenoxy)acetate
CID 8608475

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate?
The IUPAC name of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate (CID 9197712) is [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate.
What is the SMILES notation for [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate?
The canonical SMILES for [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate is CCNC(=O)CNC(=O)COC(=O)COc1ccccc1C=O.
What is the InChIKey of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate?
The InChIKey is WKOCNUZVPFOTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6/c1-2-16-13(19)7-17-14(20)9-23-15(21)10-22-12-6-4-3-5-11(12)8-18/h3-6,8H,2,7,9-10H2,1H3,(H,16,19)(H,17,20).
What are the key properties of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate?
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate has a molecular weight of 322.32 g/mol, XLogP of -0.33, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate is sourced from PubChem (CID 9197712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).