2-methyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide

C12H17NO3 — CID 2971248

IUPAC2-methyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NC(C)C1CCCO1
InChIInChI=1S/C12H17NO3/c1-8(11-4-3-6-16-11)13-12(14)10-5-7-15-9(10)2/h5,7-8,11H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyOWTIFGURJYNEKS-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.89
Rot. Bonds3

About 2-methyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide

2-methyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide (PubChem CID 2971248) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-methyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide
PubChem CID2971248
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-methyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NC(C)C1CCCO1
InChIInChI=1S/C12H17NO3/c1-8(11-4-3-6-16-11)13-12(14)10-5-7-15-9(10)2/h5,7-8,11H,3-4,6H2,1-2H3,(H,13,14)
InChIKeyOWTIFGURJYNEKS-UHFFFAOYSA-N
XLogP1.89
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide (CID 2971248) is 2-methyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide is Cc1occc1C(=O)NC(C)C1CCCO1.
What is the InChIKey of 2-methyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide?
The InChIKey is OWTIFGURJYNEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(11-4-3-6-16-11)13-12(14)10-5-7-15-9(10)2/h5,7-8,11H,3-4,6H2,1-2H3,(H,13,14).
What are the key properties of 2-methyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide?
2-methyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide has a molecular weight of 223.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(oxolan-2-yl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 2971248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).