2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)butan-2-yl]butanamide

C13H23N3O4 — CID 121419257

IUPAC2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)butan-2-yl]butanamide
SMILESCCC(NC(C)=O)C(=O)NC(CC)C(=O)NC(C)C=O
InChIInChI=1S/C13H23N3O4/c1-5-10(15-9(4)18)13(20)16-11(6-2)12(19)14-8(3)7-17/h7-8,10-11H,5-6H2,1-4H3,(H,14,19)(H,15,18)(H,16,20)
InChIKeyVLFRMYBJGSSMIO-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.50
Rot. Bonds8

About 2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)butan-2-yl]butanamide

2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)butan-2-yl]butanamide (PubChem CID 121419257) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)butan-2-yl]butanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)butan-2-yl]butanamide
PubChem CID121419257
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)butan-2-yl]butanamide
SMILESCCC(NC(C)=O)C(=O)NC(CC)C(=O)NC(C)C=O
InChIInChI=1S/C13H23N3O4/c1-5-10(15-9(4)18)13(20)16-11(6-2)12(19)14-8(3)7-17/h7-8,10-11H,5-6H2,1-4H3,(H,14,19)(H,15,18)(H,16,20)
InChIKeyVLFRMYBJGSSMIO-UHFFFAOYSA-N
XLogP-0.50
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
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-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)butan-2-yl]butanamide?
The IUPAC name of 2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)butan-2-yl]butanamide (CID 121419257) is 2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)butan-2-yl]butanamide.
What is the SMILES notation for 2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)butan-2-yl]butanamide?
The canonical SMILES for 2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)butan-2-yl]butanamide is CCC(NC(C)=O)C(=O)NC(CC)C(=O)NC(C)C=O.
What is the InChIKey of 2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)butan-2-yl]butanamide?
The InChIKey is VLFRMYBJGSSMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-5-10(15-9(4)18)13(20)16-11(6-2)12(19)14-8(3)7-17/h7-8,10-11H,5-6H2,1-4H3,(H,14,19)(H,15,18)(H,16,20).
What are the key properties of 2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)butan-2-yl]butanamide?
2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)butan-2-yl]butanamide has a molecular weight of 285.34 g/mol, XLogP of -0.50, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-oxo-1-(1-oxopropan-2-ylamino)butan-2-yl]butanamide is sourced from PubChem (CID 121419257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).