3-hydroxy-N-[1-[(3-hydroxy-3-methylbutanoyl)amino]propyl]-3-methylbutanamide

C13H26N2O4 — CID 173145674

IUPAC3-hydroxy-N-[1-[(3-hydroxy-3-methylbutanoyl)amino]propyl]-3-methylbutanamide
SMILESCCC(NC(=O)CC(C)(C)O)NC(=O)CC(C)(C)O
InChIInChI=1S/C13H26N2O4/c1-6-9(14-10(16)7-12(2,3)18)15-11(17)8-13(4,5)19/h9,18-19H,6-8H2,1-5H3,(H,14,16)(H,15,17)
InChIKeyFGMOQCWIQUVHGL-UHFFFAOYSA-N
MW274.36 g/mol
LogP0.28
Rot. Bonds7

About 3-hydroxy-N-[1-[(3-hydroxy-3-methylbutanoyl)amino]propyl]-3-methylbutanamide

3-hydroxy-N-[1-[(3-hydroxy-3-methylbutanoyl)amino]propyl]-3-methylbutanamide (PubChem CID 173145674) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-hydroxy-N-[1-[(3-hydroxy-3-methylbutanoyl)amino]propyl]-3-methylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-[1-[(3-hydroxy-3-methylbutanoyl)amino]propyl]-3-methylbutanamide
PubChem CID173145674
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name3-hydroxy-N-[1-[(3-hydroxy-3-methylbutanoyl)amino]propyl]-3-methylbutanamide
SMILESCCC(NC(=O)CC(C)(C)O)NC(=O)CC(C)(C)O
InChIInChI=1S/C13H26N2O4/c1-6-9(14-10(16)7-12(2,3)18)15-11(17)8-13(4,5)19/h9,18-19H,6-8H2,1-5H3,(H,14,16)(H,15,17)
InChIKeyFGMOQCWIQUVHGL-UHFFFAOYSA-N
XLogP0.28
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[1-[(3-hydroxy-3-methylbutanoyl)amino]propyl]-3-methylbutanamide?
The IUPAC name of 3-hydroxy-N-[1-[(3-hydroxy-3-methylbutanoyl)amino]propyl]-3-methylbutanamide (CID 173145674) is 3-hydroxy-N-[1-[(3-hydroxy-3-methylbutanoyl)amino]propyl]-3-methylbutanamide.
What is the SMILES notation for 3-hydroxy-N-[1-[(3-hydroxy-3-methylbutanoyl)amino]propyl]-3-methylbutanamide?
The canonical SMILES for 3-hydroxy-N-[1-[(3-hydroxy-3-methylbutanoyl)amino]propyl]-3-methylbutanamide is CCC(NC(=O)CC(C)(C)O)NC(=O)CC(C)(C)O.
What is the InChIKey of 3-hydroxy-N-[1-[(3-hydroxy-3-methylbutanoyl)amino]propyl]-3-methylbutanamide?
The InChIKey is FGMOQCWIQUVHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-6-9(14-10(16)7-12(2,3)18)15-11(17)8-13(4,5)19/h9,18-19H,6-8H2,1-5H3,(H,14,16)(H,15,17).
What are the key properties of 3-hydroxy-N-[1-[(3-hydroxy-3-methylbutanoyl)amino]propyl]-3-methylbutanamide?
3-hydroxy-N-[1-[(3-hydroxy-3-methylbutanoyl)amino]propyl]-3-methylbutanamide has a molecular weight of 274.36 g/mol, XLogP of 0.28, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[1-[(3-hydroxy-3-methylbutanoyl)amino]propyl]-3-methylbutanamide is sourced from PubChem (CID 173145674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).