2-(2,2-dimethylpropanoylamino)-N,2-dimethylbutanamide

C11H22N2O2 — CID 88557657

IUPAC2-(2,2-dimethylpropanoylamino)-N,2-dimethylbutanamide
SMILESCCC(C)(NC(=O)C(C)(C)C)C(=O)NC
InChIInChI=1S/C11H22N2O2/c1-7-11(5,9(15)12-6)13-8(14)10(2,3)4/h7H2,1-6H3,(H,12,15)(H,13,14)
InChIKeyNTMAPIBNDURJGV-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.06
Rot. Bonds3

About 2-(2,2-dimethylpropanoylamino)-N,2-dimethylbutanamide

2-(2,2-dimethylpropanoylamino)-N,2-dimethylbutanamide (PubChem CID 88557657) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoylamino)-N,2-dimethylbutanamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoylamino)-N,2-dimethylbutanamide
PubChem CID88557657
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(2,2-dimethylpropanoylamino)-N,2-dimethylbutanamide
SMILESCCC(C)(NC(=O)C(C)(C)C)C(=O)NC
InChIInChI=1S/C11H22N2O2/c1-7-11(5,9(15)12-6)13-8(14)10(2,3)4/h7H2,1-6H3,(H,12,15)(H,13,14)
InChIKeyNTMAPIBNDURJGV-UHFFFAOYSA-N
XLogP1.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoylamino)-N,2-dimethylbutanamide?
The IUPAC name of 2-(2,2-dimethylpropanoylamino)-N,2-dimethylbutanamide (CID 88557657) is 2-(2,2-dimethylpropanoylamino)-N,2-dimethylbutanamide.
What is the SMILES notation for 2-(2,2-dimethylpropanoylamino)-N,2-dimethylbutanamide?
The canonical SMILES for 2-(2,2-dimethylpropanoylamino)-N,2-dimethylbutanamide is CCC(C)(NC(=O)C(C)(C)C)C(=O)NC.
What is the InChIKey of 2-(2,2-dimethylpropanoylamino)-N,2-dimethylbutanamide?
The InChIKey is NTMAPIBNDURJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-7-11(5,9(15)12-6)13-8(14)10(2,3)4/h7H2,1-6H3,(H,12,15)(H,13,14).
What are the key properties of 2-(2,2-dimethylpropanoylamino)-N,2-dimethylbutanamide?
2-(2,2-dimethylpropanoylamino)-N,2-dimethylbutanamide has a molecular weight of 214.31 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropanoylamino)-N,2-dimethylbutanamide is sourced from PubChem (CID 88557657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).