N-benzyl-3-methoxy-2-(propanoylamino)propanamide

C14H20N2O3 — CID 10858343

IUPACN-benzyl-3-methoxy-2-(propanoylamino)propanamide
SMILESCCC(=O)NC(COC)C(=O)NCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-13(17)16-12(10-19-2)14(18)15-9-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyIUPMANYFQVBFSR-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.84
Rot. Bonds7

About N-benzyl-3-methoxy-2-(propanoylamino)propanamide

N-benzyl-3-methoxy-2-(propanoylamino)propanamide (PubChem CID 10858343) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-benzyl-3-methoxy-2-(propanoylamino)propanamide.

Molecular Properties

Compound NameN-benzyl-3-methoxy-2-(propanoylamino)propanamide
PubChem CID10858343
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-benzyl-3-methoxy-2-(propanoylamino)propanamide
SMILESCCC(=O)NC(COC)C(=O)NCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-3-13(17)16-12(10-19-2)14(18)15-9-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyIUPMANYFQVBFSR-UHFFFAOYSA-N
XLogP0.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methoxy-2-(propanoylamino)propanamide?
The IUPAC name of N-benzyl-3-methoxy-2-(propanoylamino)propanamide (CID 10858343) is N-benzyl-3-methoxy-2-(propanoylamino)propanamide.
What is the SMILES notation for N-benzyl-3-methoxy-2-(propanoylamino)propanamide?
The canonical SMILES for N-benzyl-3-methoxy-2-(propanoylamino)propanamide is CCC(=O)NC(COC)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-methoxy-2-(propanoylamino)propanamide?
The InChIKey is IUPMANYFQVBFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-13(17)16-12(10-19-2)14(18)15-9-11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-benzyl-3-methoxy-2-(propanoylamino)propanamide?
N-benzyl-3-methoxy-2-(propanoylamino)propanamide has a molecular weight of 264.32 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methoxy-2-(propanoylamino)propanamide is sourced from PubChem (CID 10858343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).