N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide

C12H16N2O4 — CID 4583974

IUPACN-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NCC1CCCO1
InChIInChI=1S/C12H16N2O4/c15-11(13-7-9-3-1-5-17-9)8-14-12(16)10-4-2-6-18-10/h2,4,6,9H,1,3,5,7-8H2,(H,13,15)(H,14,16)
InChIKeyPJSIEGSKQORJBP-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.30
Rot. Bonds5

About N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide

N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide (PubChem CID 4583974) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide
PubChem CID4583974
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NCC1CCCO1
InChIInChI=1S/C12H16N2O4/c15-11(13-7-9-3-1-5-17-9)8-14-12(16)10-4-2-6-18-10/h2,4,6,9H,1,3,5,7-8H2,(H,13,15)(H,14,16)
InChIKeyPJSIEGSKQORJBP-UHFFFAOYSA-N
XLogP0.30
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide (CID 4583974) is N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)NCC1CCCO1.
What is the InChIKey of N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide?
The InChIKey is PJSIEGSKQORJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c15-11(13-7-9-3-1-5-17-9)8-14-12(16)10-4-2-6-18-10/h2,4,6,9H,1,3,5,7-8H2,(H,13,15)(H,14,16).
What are the key properties of N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide?
N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 4583974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).