2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane

C16H37NO4 — CID 142272476

IUPAC2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane
SMILESCC.CC.CC.CCC(=O)OCCN(C)CCOC(C)=O
InChIInChI=1S/C10H19NO4.3C2H6/c1-4-10(13)15-8-6-11(3)5-7-14-9(2)12;3*1-2/h4-8H2,1-3H3;3*1-2H3
InChIKeyPFTVLNGJFVWBOH-UHFFFAOYSA-N
MW307.48 g/mol
LogP3.51
Rot. Bonds7

About 2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane

2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane (PubChem CID 142272476) has the molecular formula C16H37NO4 and a molecular weight of 307.48 g/mol. Its IUPAC name is 2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane.

Molecular Properties

Compound Name2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane
PubChem CID142272476
Molecular FormulaC16H37NO4
Molecular Weight307.48 g/mol
Exact Mass307.27
IUPAC Name2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane
SMILESCC.CC.CC.CCC(=O)OCCN(C)CCOC(C)=O
InChIInChI=1S/C10H19NO4.3C2H6/c1-4-10(13)15-8-6-11(3)5-7-14-9(2)12;3*1-2/h4-8H2,1-3H3;3*1-2H3
InChIKeyPFTVLNGJFVWBOH-UHFFFAOYSA-N
XLogP3.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-[methyl(propyl)amino]ethyl acetate
CID 143043646
2-[2-hydroxyethyl(methyl)amino]ethyl propanoate
CID 123682095
butyl acetate;butyl propanoate
CID 146454532
2-(diethylamino)ethyl propanoate;hydrochloride
CID 141390423
2-[2-acetyloxyethyl(methyl)amino]ethyl 2-methylprop-2-enoate
CID 88902342
2-(2-acetyloxyethylamino)ethyl propanoate
CID 89063428
2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate
CID 23544927
pentadecyl 3-[bis(2-acetyloxyethyl)amino]propanoate
CID 13007527
2-[ethyl(methyl)amino]ethyl 3-aminopropanoate
CID 89304137
2-[2-acetyloxyethyl-[3-[bis(2-acetyloxyethyl)amino]propyl]amino]ethyl acetate
CID 57261073
2-(dimethylamino)ethyl 4-oxopentanoate
CID 21027209
2-[ethyl(iodo)amino]ethyl propanoate
CID 167202757

Frequently Asked Questions

What is the IUPAC name of 2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane?
The IUPAC name of 2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane (CID 142272476) is 2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane.
What is the SMILES notation for 2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane?
The canonical SMILES for 2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane is CC.CC.CC.CCC(=O)OCCN(C)CCOC(C)=O.
What is the InChIKey of 2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane?
The InChIKey is PFTVLNGJFVWBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4.3C2H6/c1-4-10(13)15-8-6-11(3)5-7-14-9(2)12;3*1-2/h4-8H2,1-3H3;3*1-2H3.
What are the key properties of 2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane?
2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane has a molecular weight of 307.48 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane is sourced from PubChem (CID 142272476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).