N-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide

C9H13NO3 — CID 39237533

IUPACN-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide
SMILESCCN(CCO)C(=O)c1ccco1
InChIInChI=1S/C9H13NO3/c1-2-10(5-6-11)9(12)8-4-3-7-13-8/h3-4,7,11H,2,5-6H2,1H3
InChIKeyCTMACMYIOIRRCS-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.73
Rot. Bonds4

About N-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide

N-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide (PubChem CID 39237533) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide
PubChem CID39237533
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC NameN-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide
SMILESCCN(CCO)C(=O)c1ccco1
InChIInChI=1S/C9H13NO3/c1-2-10(5-6-11)9(12)8-4-3-7-13-8/h3-4,7,11H,2,5-6H2,1H3
InChIKeyCTMACMYIOIRRCS-UHFFFAOYSA-N
XLogP0.73
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide (CID 39237533) is N-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide is CCN(CCO)C(=O)c1ccco1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide?
The InChIKey is CTMACMYIOIRRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-2-10(5-6-11)9(12)8-4-3-7-13-8/h3-4,7,11H,2,5-6H2,1H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide?
N-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide has a molecular weight of 183.21 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)furan-2-carboxamide is sourced from PubChem (CID 39237533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).