4,5-dimethyl-N-propan-2-ylfuran-2-carboxamide;ethane

C12H21NO2 — CID 158752284

IUPAC4,5-dimethyl-N-propan-2-ylfuran-2-carboxamide;ethane
SMILESCC.Cc1cc(C(=O)NC(C)C)oc1C
InChIInChI=1S/C10H15NO2.C2H6/c1-6(2)11-10(12)9-5-7(3)8(4)13-9;1-2/h5-6H,1-4H3,(H,11,12);1-2H3
InChIKeyINQBCCVEQZCWAP-UHFFFAOYSA-N
MW211.30 g/mol
LogP3.06
Rot. Bonds2

About 4,5-dimethyl-N-propan-2-ylfuran-2-carboxamide;ethane

4,5-dimethyl-N-propan-2-ylfuran-2-carboxamide;ethane (PubChem CID 158752284) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4,5-dimethyl-N-propan-2-ylfuran-2-carboxamide;ethane.

Molecular Properties

Compound Name4,5-dimethyl-N-propan-2-ylfuran-2-carboxamide;ethane
PubChem CID158752284
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4,5-dimethyl-N-propan-2-ylfuran-2-carboxamide;ethane
SMILESCC.Cc1cc(C(=O)NC(C)C)oc1C
InChIInChI=1S/C10H15NO2.C2H6/c1-6(2)11-10(12)9-5-7(3)8(4)13-9;1-2/h5-6H,1-4H3,(H,11,12);1-2H3
InChIKeyINQBCCVEQZCWAP-UHFFFAOYSA-N
XLogP3.06
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-propan-2-ylfuran-2-carboxamide;ethane?
The IUPAC name of 4,5-dimethyl-N-propan-2-ylfuran-2-carboxamide;ethane (CID 158752284) is 4,5-dimethyl-N-propan-2-ylfuran-2-carboxamide;ethane.
What is the SMILES notation for 4,5-dimethyl-N-propan-2-ylfuran-2-carboxamide;ethane?
The canonical SMILES for 4,5-dimethyl-N-propan-2-ylfuran-2-carboxamide;ethane is CC.Cc1cc(C(=O)NC(C)C)oc1C.
What is the InChIKey of 4,5-dimethyl-N-propan-2-ylfuran-2-carboxamide;ethane?
The InChIKey is INQBCCVEQZCWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2.C2H6/c1-6(2)11-10(12)9-5-7(3)8(4)13-9;1-2/h5-6H,1-4H3,(H,11,12);1-2H3.
What are the key properties of 4,5-dimethyl-N-propan-2-ylfuran-2-carboxamide;ethane?
4,5-dimethyl-N-propan-2-ylfuran-2-carboxamide;ethane has a molecular weight of 211.30 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-propan-2-ylfuran-2-carboxamide;ethane is sourced from PubChem (CID 158752284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).