N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide

C16H18N2O4 — CID 4781667

IUPACN-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide
SMILESCCCNC(=O)COc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C16H18N2O4/c1-2-9-17-15(19)11-22-13-7-5-12(6-8-13)18-16(20)14-4-3-10-21-14/h3-8,10H,2,9,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyFEQGIWDGJZVCHW-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.44
Rot. Bonds7

About N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide

N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide (PubChem CID 4781667) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide
PubChem CID4781667
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide
SMILESCCCNC(=O)COc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C16H18N2O4/c1-2-9-17-15(19)11-22-13-7-5-12(6-8-13)18-16(20)14-4-3-10-21-14/h3-8,10H,2,9,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyFEQGIWDGJZVCHW-UHFFFAOYSA-N
XLogP2.44
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide (CID 4781667) is N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide is CCCNC(=O)COc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide?
The InChIKey is FEQGIWDGJZVCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-2-9-17-15(19)11-22-13-7-5-12(6-8-13)18-16(20)14-4-3-10-21-14/h3-8,10H,2,9,11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide?
N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(propylamino)ethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 4781667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).