2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide

C10H22N2O3 — CID 91573505

IUPAC2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide
SMILESCNC(=O)C(NC(O)CC(C)O)C(C)C
InChIInChI=1S/C10H22N2O3/c1-6(2)9(10(15)11-4)12-8(14)5-7(3)13/h6-9,12-14H,5H2,1-4H3,(H,11,15)
InChIKeyBOGIFKJFPIATRJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.56
Rot. Bonds6

About 2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide

2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide (PubChem CID 91573505) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide
PubChem CID91573505
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide
SMILESCNC(=O)C(NC(O)CC(C)O)C(C)C
InChIInChI=1S/C10H22N2O3/c1-6(2)9(10(15)11-4)12-8(14)5-7(3)13/h6-9,12-14H,5H2,1-4H3,(H,11,15)
InChIKeyBOGIFKJFPIATRJ-UHFFFAOYSA-N
XLogP-0.56
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.56
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 2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide?
The IUPAC name of 2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide (CID 91573505) is 2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide.
What is the SMILES notation for 2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide?
The canonical SMILES for 2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide is CNC(=O)C(NC(O)CC(C)O)C(C)C.
What is the InChIKey of 2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide?
The InChIKey is BOGIFKJFPIATRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-6(2)9(10(15)11-4)12-8(14)5-7(3)13/h6-9,12-14H,5H2,1-4H3,(H,11,15).
What are the key properties of 2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide?
2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide has a molecular weight of 218.30 g/mol, XLogP of -0.56, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide is sourced from PubChem (CID 91573505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).