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

C10H17NO5 — CID 21430

IUPAC2-[acetyl(2-acetyloxyethyl)amino]ethyl acetate
SMILESCC(=O)OCCN(CCOC(C)=O)C(C)=O
InChIInChI=1S/C10H17NO5/c1-8(12)11(4-6-15-9(2)13)5-7-16-10(3)14/h4-7H2,1-3H3
InChIKeyJIPCOUYOBWRZJJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.04
Rot. Bonds6

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

2-[acetyl(2-acetyloxyethyl)amino]ethyl acetate (PubChem CID 21430) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[acetyl(2-acetyloxyethyl)amino]ethyl acetate.

Molecular Properties

Compound Name2-[acetyl(2-acetyloxyethyl)amino]ethyl acetate
PubChem CID21430
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name2-[acetyl(2-acetyloxyethyl)amino]ethyl acetate
SMILESCC(=O)OCCN(CCOC(C)=O)C(C)=O
InChIInChI=1S/C10H17NO5/c1-8(12)11(4-6-15-9(2)13)5-7-16-10(3)14/h4-7H2,1-3H3
InChIKeyJIPCOUYOBWRZJJ-UHFFFAOYSA-N
XLogP-0.04
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethanol, 2,2',2''-nitrilotris-, 1,1',1''-triacetate
CID 76352
1-(1,4,7-Trioxa-10-azacyclododecan-10-yl)ethanone
CID 949153
1,1'-(1,4,10-Trioxa-7,13-diazacyclopentadecane-7,13-diyl)diethanone
CID 3090865
2-(Diethylamino)ethyl acetate
CID 82591
N(2-Acetoxyethyl)-N-ethylacetamide
CID 27397
Ethyl N-(2-ethoxy-2-oxoethyl)-N-methylglycinate
CID 79432
Diethyl(2-hydroxyethyl)methylammonium iodide acetate
CID 3041171
Acetyldiethylcholine
CID 416923
(Acetyl-methoxycarbonylmethyl-amino)-acetic acid methyl ester
CID 224229
1,7-Dioxa-4,10-diazacyclododecane, 4,10-diacetyl-
CID 3792516
Ethyl n-(ethoxycarbonyl)-n-methylglycinate
CID 265106
Acetamide, N-(ethoxyethyl)-N-ethyl-
CID 50628

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2-acetyloxyethyl)amino]ethyl acetate?
The IUPAC name of 2-[acetyl(2-acetyloxyethyl)amino]ethyl acetate (CID 21430) is 2-[acetyl(2-acetyloxyethyl)amino]ethyl acetate.
What is the SMILES notation for 2-[acetyl(2-acetyloxyethyl)amino]ethyl acetate?
The canonical SMILES for 2-[acetyl(2-acetyloxyethyl)amino]ethyl acetate is CC(=O)OCCN(CCOC(C)=O)C(C)=O.
What is the InChIKey of 2-[acetyl(2-acetyloxyethyl)amino]ethyl acetate?
The InChIKey is JIPCOUYOBWRZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-8(12)11(4-6-15-9(2)13)5-7-16-10(3)14/h4-7H2,1-3H3.
What are the key properties of 2-[acetyl(2-acetyloxyethyl)amino]ethyl acetate?
2-[acetyl(2-acetyloxyethyl)amino]ethyl acetate has a molecular weight of 231.25 g/mol, XLogP of -0.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2-acetyloxyethyl)amino]ethyl acetate is sourced from PubChem (CID 21430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).