ethyl 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethoxy]acetate

C11H22N2O4 — CID 103247488

IUPACethyl 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethoxy]acetate
SMILESCCNC(=O)C(C)NCCOCC(=O)OCC
InChIInChI=1S/C11H22N2O4/c1-4-12-11(15)9(3)13-6-7-16-8-10(14)17-5-2/h9,13H,4-8H2,1-3H3,(H,12,15)
InChIKeyRBDATULFYZQWMX-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.32
Rot. Bonds9

About ethyl 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethoxy]acetate

ethyl 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethoxy]acetate (PubChem CID 103247488) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethoxy]acetate
PubChem CID103247488
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Nameethyl 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethoxy]acetate
SMILESCCNC(=O)C(C)NCCOCC(=O)OCC
InChIInChI=1S/C11H22N2O4/c1-4-12-11(15)9(3)13-6-7-16-8-10(14)17-5-2/h9,13H,4-8H2,1-3H3,(H,12,15)
InChIKeyRBDATULFYZQWMX-UHFFFAOYSA-N
XLogP-0.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-(2-ethoxy-2-oxoethoxy)ethylamino]propanoate
CID 103245215
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
CID 83210549
ethyl 2-[2-[(1-methoxy-3-methylbutan-2-yl)amino]ethoxy]acetate
CID 103254023
ethyl 2-[2-[1-(dimethylamino)propan-2-ylamino]ethoxy]acetate
CID 103260824
ethyl (2S)-2-(2-ethoxyethylamino)propanoate
CID 88726187
ethyl 2-[2-(ethoxyamino)ethoxy]acetate
CID 103254485
ethyl 2-(2-propan-2-yloxyethoxy)acetate
CID 43119673
2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid
CID 79463151
ethyl 2-[2-(hex-1-yn-3-ylamino)ethoxy]acetate
CID 106231895
N-ethyl-2-(3-hydroxypropylamino)propanamide
CID 43392791
ethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61464453
butyl 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]acetate
CID 60681488

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethoxy]acetate?
The IUPAC name of ethyl 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethoxy]acetate (CID 103247488) is ethyl 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethoxy]acetate is CCNC(=O)C(C)NCCOCC(=O)OCC.
What is the InChIKey of ethyl 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethoxy]acetate?
The InChIKey is RBDATULFYZQWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-4-12-11(15)9(3)13-6-7-16-8-10(14)17-5-2/h9,13H,4-8H2,1-3H3,(H,12,15).
What are the key properties of ethyl 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethoxy]acetate?
ethyl 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethoxy]acetate has a molecular weight of 246.31 g/mol, XLogP of -0.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethoxy]acetate is sourced from PubChem (CID 103247488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).