2-[(5-formylfuran-2-yl)-propylamino]propanamide

C11H16N2O3 — CID 123565805

IUPAC2-[(5-formylfuran-2-yl)-propylamino]propanamide
SMILESCCCN(c1ccc(C=O)o1)C(C)C(N)=O
InChIInChI=1S/C11H16N2O3/c1-3-6-13(8(2)11(12)15)10-5-4-9(7-14)16-10/h4-5,7-8H,3,6H2,1-2H3,(H2,12,15)
InChIKeyZBDGPDVQYDTCOW-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.18
Rot. Bonds6

About 2-[(5-formylfuran-2-yl)-propylamino]propanamide

2-[(5-formylfuran-2-yl)-propylamino]propanamide (PubChem CID 123565805) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(5-formylfuran-2-yl)-propylamino]propanamide.

Molecular Properties

Compound Name2-[(5-formylfuran-2-yl)-propylamino]propanamide
PubChem CID123565805
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[(5-formylfuran-2-yl)-propylamino]propanamide
SMILESCCCN(c1ccc(C=O)o1)C(C)C(N)=O
InChIInChI=1S/C11H16N2O3/c1-3-6-13(8(2)11(12)15)10-5-4-9(7-14)16-10/h4-5,7-8H,3,6H2,1-2H3,(H2,12,15)
InChIKeyZBDGPDVQYDTCOW-UHFFFAOYSA-N
XLogP1.18
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-formylfuran-2-yl)-propylamino]propanamide?
The IUPAC name of 2-[(5-formylfuran-2-yl)-propylamino]propanamide (CID 123565805) is 2-[(5-formylfuran-2-yl)-propylamino]propanamide.
What is the SMILES notation for 2-[(5-formylfuran-2-yl)-propylamino]propanamide?
The canonical SMILES for 2-[(5-formylfuran-2-yl)-propylamino]propanamide is CCCN(c1ccc(C=O)o1)C(C)C(N)=O.
What is the InChIKey of 2-[(5-formylfuran-2-yl)-propylamino]propanamide?
The InChIKey is ZBDGPDVQYDTCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-6-13(8(2)11(12)15)10-5-4-9(7-14)16-10/h4-5,7-8H,3,6H2,1-2H3,(H2,12,15).
What are the key properties of 2-[(5-formylfuran-2-yl)-propylamino]propanamide?
2-[(5-formylfuran-2-yl)-propylamino]propanamide has a molecular weight of 224.26 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-formylfuran-2-yl)-propylamino]propanamide is sourced from PubChem (CID 123565805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).