2-[2-acetyloxyethyl-[2-(dimethylamino)acetyl]amino]ethyl acetate

C12H22N2O5 — CID 162529584

IUPAC2-[2-acetyloxyethyl-[2-(dimethylamino)acetyl]amino]ethyl acetate
SMILESCC(=O)OCCN(CCOC(C)=O)C(=O)CN(C)C
InChIInChI=1S/C12H22N2O5/c1-10(15)18-7-5-14(6-8-19-11(2)16)12(17)9-13(3)4/h5-9H2,1-4H3
InChIKeyYQIQUPOLKLIQMJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.50
Rot. Bonds8

About 2-[2-acetyloxyethyl-[2-(dimethylamino)acetyl]amino]ethyl acetate

2-[2-acetyloxyethyl-[2-(dimethylamino)acetyl]amino]ethyl acetate (PubChem CID 162529584) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[2-acetyloxyethyl-[2-(dimethylamino)acetyl]amino]ethyl acetate.

Molecular Properties

Compound Name2-[2-acetyloxyethyl-[2-(dimethylamino)acetyl]amino]ethyl acetate
PubChem CID162529584
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name2-[2-acetyloxyethyl-[2-(dimethylamino)acetyl]amino]ethyl acetate
SMILESCC(=O)OCCN(CCOC(C)=O)C(=O)CN(C)C
InChIInChI=1S/C12H22N2O5/c1-10(15)18-7-5-14(6-8-19-11(2)16)12(17)9-13(3)4/h5-9H2,1-4H3
InChIKeyYQIQUPOLKLIQMJ-UHFFFAOYSA-N
XLogP-0.50
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-Bis(acetoxyethyl)acetamide
CID 21430
4-Acetyl-1-(2-ethoxy-2-oxoethyl)-1-methylpiperazin-1-ium
CID 16193173
(Acetyl-methoxycarbonylmethyl-amino)-acetic acid methyl ester
CID 224229
Ethyl 2-{[2-(dimethylamino)ethyl](methyl)amino}acetate
CID 62013715
Ethyl (4-ethyl-1-piperazinyl)(oxo)acetate
CID 2166906
2-[[2-[2-Acetyloxyethyl-[2-[2-acetyloxyethyl-[2-[bis(carboxymethyl)amino]-2-oxoethyl]amino]ethyl]amino]acetyl]-(carboxymethyl)amino]acetic acid
CID 10628749
Ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate
CID 14985599
Ethyl 2-(4-formylpiperazin-1-yl)acetate
CID 676654
Ethyl 2-[2-(2-aminoacetamido)acetamido]acetate
CID 7020070
Glycine, N,N-bis[2-[bis(2-ethoxy-2-oxoethyl)amino]ethyl]-, ethyl ester
CID 630323
2-[bis(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 78807491
1,4-Piperazinediacetic acid, diethyl ester
CID 142460

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetyloxyethyl-[2-(dimethylamino)acetyl]amino]ethyl acetate?
The IUPAC name of 2-[2-acetyloxyethyl-[2-(dimethylamino)acetyl]amino]ethyl acetate (CID 162529584) is 2-[2-acetyloxyethyl-[2-(dimethylamino)acetyl]amino]ethyl acetate.
What is the SMILES notation for 2-[2-acetyloxyethyl-[2-(dimethylamino)acetyl]amino]ethyl acetate?
The canonical SMILES for 2-[2-acetyloxyethyl-[2-(dimethylamino)acetyl]amino]ethyl acetate is CC(=O)OCCN(CCOC(C)=O)C(=O)CN(C)C.
What is the InChIKey of 2-[2-acetyloxyethyl-[2-(dimethylamino)acetyl]amino]ethyl acetate?
The InChIKey is YQIQUPOLKLIQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-10(15)18-7-5-14(6-8-19-11(2)16)12(17)9-13(3)4/h5-9H2,1-4H3.
What are the key properties of 2-[2-acetyloxyethyl-[2-(dimethylamino)acetyl]amino]ethyl acetate?
2-[2-acetyloxyethyl-[2-(dimethylamino)acetyl]amino]ethyl acetate has a molecular weight of 274.32 g/mol, XLogP of -0.50, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetyloxyethyl-[2-(dimethylamino)acetyl]amino]ethyl acetate is sourced from PubChem (CID 162529584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).