N-[5-[[2-(methylamino)acetyl]amino]furan-2-yl]propanamide

C10H15N3O3 — CID 146415896

IUPACN-[5-[[2-(methylamino)acetyl]amino]furan-2-yl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CNC)o1
InChIInChI=1S/C10H15N3O3/c1-3-7(14)12-9-4-5-10(16-9)13-8(15)6-11-2/h4-5,11H,3,6H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyQECQLTOJUYBFHK-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.79
Rot. Bonds5

About N-[5-[[2-(methylamino)acetyl]amino]furan-2-yl]propanamide

N-[5-[[2-(methylamino)acetyl]amino]furan-2-yl]propanamide (PubChem CID 146415896) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[5-[[2-(methylamino)acetyl]amino]furan-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[[2-(methylamino)acetyl]amino]furan-2-yl]propanamide
PubChem CID146415896
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN-[5-[[2-(methylamino)acetyl]amino]furan-2-yl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CNC)o1
InChIInChI=1S/C10H15N3O3/c1-3-7(14)12-9-4-5-10(16-9)13-8(15)6-11-2/h4-5,11H,3,6H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyQECQLTOJUYBFHK-UHFFFAOYSA-N
XLogP0.79
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(methylamino)acetyl]amino]furan-2-yl]propanamide?
The IUPAC name of N-[5-[[2-(methylamino)acetyl]amino]furan-2-yl]propanamide (CID 146415896) is N-[5-[[2-(methylamino)acetyl]amino]furan-2-yl]propanamide.
What is the SMILES notation for N-[5-[[2-(methylamino)acetyl]amino]furan-2-yl]propanamide?
The canonical SMILES for N-[5-[[2-(methylamino)acetyl]amino]furan-2-yl]propanamide is CCC(=O)Nc1ccc(NC(=O)CNC)o1.
What is the InChIKey of N-[5-[[2-(methylamino)acetyl]amino]furan-2-yl]propanamide?
The InChIKey is QECQLTOJUYBFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-7(14)12-9-4-5-10(16-9)13-8(15)6-11-2/h4-5,11H,3,6H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N-[5-[[2-(methylamino)acetyl]amino]furan-2-yl]propanamide?
N-[5-[[2-(methylamino)acetyl]amino]furan-2-yl]propanamide has a molecular weight of 225.25 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(methylamino)acetyl]amino]furan-2-yl]propanamide is sourced from PubChem (CID 146415896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).