2-acetamido-N,3,3-trimethylbutanamide

C9H18N2O2 — CID 3814733

IUPAC2-acetamido-N,3,3-trimethylbutanamide
SMILESCNC(=O)C(NC(C)=O)C(C)(C)C
InChIInChI=1S/C9H18N2O2/c1-6(12)11-7(8(13)10-5)9(2,3)4/h7H,1-5H3,(H,10,13)(H,11,12)
InChIKeyQVSDVIJQXZTBCC-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.28
Rot. Bonds2

About 2-acetamido-N,3,3-trimethylbutanamide

2-acetamido-N,3,3-trimethylbutanamide (PubChem CID 3814733) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-acetamido-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name2-acetamido-N,3,3-trimethylbutanamide
PubChem CID3814733
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-acetamido-N,3,3-trimethylbutanamide
SMILESCNC(=O)C(NC(C)=O)C(C)(C)C
InChIInChI=1S/C9H18N2O2/c1-6(12)11-7(8(13)10-5)9(2,3)4/h7H,1-5H3,(H,10,13)(H,11,12)
InChIKeyQVSDVIJQXZTBCC-UHFFFAOYSA-N
XLogP0.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N,3,3-trimethylbutanamide?
The IUPAC name of 2-acetamido-N,3,3-trimethylbutanamide (CID 3814733) is 2-acetamido-N,3,3-trimethylbutanamide.
What is the SMILES notation for 2-acetamido-N,3,3-trimethylbutanamide?
The canonical SMILES for 2-acetamido-N,3,3-trimethylbutanamide is CNC(=O)C(NC(C)=O)C(C)(C)C.
What is the InChIKey of 2-acetamido-N,3,3-trimethylbutanamide?
The InChIKey is QVSDVIJQXZTBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(12)11-7(8(13)10-5)9(2,3)4/h7H,1-5H3,(H,10,13)(H,11,12).
What are the key properties of 2-acetamido-N,3,3-trimethylbutanamide?
2-acetamido-N,3,3-trimethylbutanamide has a molecular weight of 186.25 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N,3,3-trimethylbutanamide is sourced from PubChem (CID 3814733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).