2-[acetyl(propan-2-yl)amino]ethyl acetate

C9H17NO3 — CID 91618806

IUPAC2-[acetyl(propan-2-yl)amino]ethyl acetate
SMILESCC(=O)OCCN(C(C)=O)C(C)C
InChIInChI=1S/C9H17NO3/c1-7(2)10(8(3)11)5-6-13-9(4)12/h7H,5-6H2,1-4H3
InChIKeyAJSUZRAFMDXSBG-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.81
Rot. Bonds4

About 2-[acetyl(propan-2-yl)amino]ethyl acetate

2-[acetyl(propan-2-yl)amino]ethyl acetate (PubChem CID 91618806) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[acetyl(propan-2-yl)amino]ethyl acetate.

Molecular Properties

Compound Name2-[acetyl(propan-2-yl)amino]ethyl acetate
PubChem CID91618806
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[acetyl(propan-2-yl)amino]ethyl acetate
SMILESCC(=O)OCCN(C(C)=O)C(C)C
InChIInChI=1S/C9H17NO3/c1-7(2)10(8(3)11)5-6-13-9(4)12/h7H,5-6H2,1-4H3
InChIKeyAJSUZRAFMDXSBG-UHFFFAOYSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propan-2-yl)amino]ethyl acetate?
The IUPAC name of 2-[acetyl(propan-2-yl)amino]ethyl acetate (CID 91618806) is 2-[acetyl(propan-2-yl)amino]ethyl acetate.
What is the SMILES notation for 2-[acetyl(propan-2-yl)amino]ethyl acetate?
The canonical SMILES for 2-[acetyl(propan-2-yl)amino]ethyl acetate is CC(=O)OCCN(C(C)=O)C(C)C.
What is the InChIKey of 2-[acetyl(propan-2-yl)amino]ethyl acetate?
The InChIKey is AJSUZRAFMDXSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(2)10(8(3)11)5-6-13-9(4)12/h7H,5-6H2,1-4H3.
What are the key properties of 2-[acetyl(propan-2-yl)amino]ethyl acetate?
2-[acetyl(propan-2-yl)amino]ethyl acetate has a molecular weight of 187.24 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propan-2-yl)amino]ethyl acetate is sourced from PubChem (CID 91618806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).