N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide;ethane

C10H25NO3 — CID 142357368

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide;ethane
SMILESCC.CC.CC(=O)NC(C)(CO)CO
InChIInChI=1S/C6H13NO3.2C2H6/c1-5(10)7-6(2,3-8)4-9;2*1-2/h8-9H,3-4H2,1-2H3,(H,7,10);2*1-2H3
InChIKeyPQAKROUBMPEOKF-UHFFFAOYSA-N
MW207.31 g/mol
LogP0.92
Rot. Bonds3

About N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide;ethane

N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide;ethane (PubChem CID 142357368) has the molecular formula C10H25NO3 and a molecular weight of 207.31 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide;ethane.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide;ethane
PubChem CID142357368
Molecular FormulaC10H25NO3
Molecular Weight207.31 g/mol
Exact Mass207.18
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide;ethane
SMILESCC.CC.CC(=O)NC(C)(CO)CO
InChIInChI=1S/C6H13NO3.2C2H6/c1-5(10)7-6(2,3-8)4-9;2*1-2/h8-9H,3-4H2,1-2H3,(H,7,10);2*1-2H3
InChIKeyPQAKROUBMPEOKF-UHFFFAOYSA-N
XLogP0.92
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.31
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide;ethane?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide;ethane (CID 142357368) is N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide;ethane.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide;ethane?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide;ethane is CC.CC.CC(=O)NC(C)(CO)CO.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide;ethane?
The InChIKey is PQAKROUBMPEOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3.2C2H6/c1-5(10)7-6(2,3-8)4-9;2*1-2/h8-9H,3-4H2,1-2H3,(H,7,10);2*1-2H3.
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide;ethane?
N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide;ethane has a molecular weight of 207.31 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)acetamide;ethane is sourced from PubChem (CID 142357368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).