2-[ethyl(propan-2-yl)amino]-1-(furan-2-yl)ethanone

C11H17NO2 — CID 43795136

IUPAC2-[ethyl(propan-2-yl)amino]-1-(furan-2-yl)ethanone
SMILESCCN(CC(=O)c1ccco1)C(C)C
InChIInChI=1S/C11H17NO2/c1-4-12(9(2)3)8-10(13)11-6-5-7-14-11/h5-7,9H,4,8H2,1-3H3
InChIKeyDXYGVJBJEBCDFK-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.19
Rot. Bonds5

About 2-[ethyl(propan-2-yl)amino]-1-(furan-2-yl)ethanone

2-[ethyl(propan-2-yl)amino]-1-(furan-2-yl)ethanone (PubChem CID 43795136) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[ethyl(propan-2-yl)amino]-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-[ethyl(propan-2-yl)amino]-1-(furan-2-yl)ethanone
PubChem CID43795136
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[ethyl(propan-2-yl)amino]-1-(furan-2-yl)ethanone
SMILESCCN(CC(=O)c1ccco1)C(C)C
InChIInChI=1S/C11H17NO2/c1-4-12(9(2)3)8-10(13)11-6-5-7-14-11/h5-7,9H,4,8H2,1-3H3
InChIKeyDXYGVJBJEBCDFK-UHFFFAOYSA-N
XLogP2.19
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propan-2-yl)amino]-1-(furan-2-yl)ethanone?
The IUPAC name of 2-[ethyl(propan-2-yl)amino]-1-(furan-2-yl)ethanone (CID 43795136) is 2-[ethyl(propan-2-yl)amino]-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-[ethyl(propan-2-yl)amino]-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-[ethyl(propan-2-yl)amino]-1-(furan-2-yl)ethanone is CCN(CC(=O)c1ccco1)C(C)C.
What is the InChIKey of 2-[ethyl(propan-2-yl)amino]-1-(furan-2-yl)ethanone?
The InChIKey is DXYGVJBJEBCDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-12(9(2)3)8-10(13)11-6-5-7-14-11/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 2-[ethyl(propan-2-yl)amino]-1-(furan-2-yl)ethanone?
2-[ethyl(propan-2-yl)amino]-1-(furan-2-yl)ethanone has a molecular weight of 195.26 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propan-2-yl)amino]-1-(furan-2-yl)ethanone is sourced from PubChem (CID 43795136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).