N-(3,3-dimethylbutan-2-yl)-2-hydroxyacetamide

C8H17NO2 — CID 130917609

IUPACN-(3,3-dimethylbutan-2-yl)-2-hydroxyacetamide
SMILESCC(NC(=O)CO)C(C)(C)C
InChIInChI=1S/C8H17NO2/c1-6(8(2,3)4)9-7(11)5-10/h6,10H,5H2,1-4H3,(H,9,11)
InChIKeyPNGNVNBWGHUDSW-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.53
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-2-hydroxyacetamide

N-(3,3-dimethylbutan-2-yl)-2-hydroxyacetamide (PubChem CID 130917609) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2-hydroxyacetamide
PubChem CID130917609
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2-hydroxyacetamide
SMILESCC(NC(=O)CO)C(C)(C)C
InChIInChI=1S/C8H17NO2/c1-6(8(2,3)4)9-7(11)5-10/h6,10H,5H2,1-4H3,(H,9,11)
InChIKeyPNGNVNBWGHUDSW-UHFFFAOYSA-N
XLogP0.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-hydroxyacetamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2-hydroxyacetamide (CID 130917609) is N-(3,3-dimethylbutan-2-yl)-2-hydroxyacetamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2-hydroxyacetamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2-hydroxyacetamide is CC(NC(=O)CO)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2-hydroxyacetamide?
The InChIKey is PNGNVNBWGHUDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(8(2,3)4)9-7(11)5-10/h6,10H,5H2,1-4H3,(H,9,11).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2-hydroxyacetamide?
N-(3,3-dimethylbutan-2-yl)-2-hydroxyacetamide has a molecular weight of 159.23 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-2-hydroxyacetamide is sourced from PubChem (CID 130917609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).