2-[acetyl(methyl)amino]ethyl acetate

C7H13NO3 — CID 12797760

IUPAC2-[acetyl(methyl)amino]ethyl acetate
SMILESCC(=O)OCCN(C)C(C)=O
InChIInChI=1S/C7H13NO3/c1-6(9)8(3)4-5-11-7(2)10/h4-5H2,1-3H3
InChIKeyYXZLESPHOKCEOV-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.03
Rot. Bonds3

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

2-[acetyl(methyl)amino]ethyl acetate (PubChem CID 12797760) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]ethyl acetate.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]ethyl acetate
PubChem CID12797760
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name2-[acetyl(methyl)amino]ethyl acetate
SMILESCC(=O)OCCN(C)C(C)=O
InChIInChI=1S/C7H13NO3/c1-6(9)8(3)4-5-11-7(2)10/h4-5H2,1-3H3
InChIKeyYXZLESPHOKCEOV-UHFFFAOYSA-N
XLogP0.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]ethyl acetate?
The IUPAC name of 2-[acetyl(methyl)amino]ethyl acetate (CID 12797760) is 2-[acetyl(methyl)amino]ethyl acetate.
What is the SMILES notation for 2-[acetyl(methyl)amino]ethyl acetate?
The canonical SMILES for 2-[acetyl(methyl)amino]ethyl acetate is CC(=O)OCCN(C)C(C)=O.
What is the InChIKey of 2-[acetyl(methyl)amino]ethyl acetate?
The InChIKey is YXZLESPHOKCEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-6(9)8(3)4-5-11-7(2)10/h4-5H2,1-3H3.
What are the key properties of 2-[acetyl(methyl)amino]ethyl acetate?
2-[acetyl(methyl)amino]ethyl acetate has a molecular weight of 159.19 g/mol, XLogP of 0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]ethyl acetate is sourced from PubChem (CID 12797760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).