N-[2-(2,2-dimethylpropanoylamino)ethyl]-2,2-dimethylpropanamide

C12H24N2O2 — CID 3838667

IUPACN-[2-(2,2-dimethylpropanoylamino)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNC(=O)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-11(2,3)9(15)13-7-8-14-10(16)12(4,5)6/h7-8H2,1-6H3,(H,13,15)(H,14,16)
InChIKeyJIUXOQPDAVCERS-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.31
Rot. Bonds3

About N-[2-(2,2-dimethylpropanoylamino)ethyl]-2,2-dimethylpropanamide

N-[2-(2,2-dimethylpropanoylamino)ethyl]-2,2-dimethylpropanamide (PubChem CID 3838667) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropanoylamino)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropanoylamino)ethyl]-2,2-dimethylpropanamide
PubChem CID3838667
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[2-(2,2-dimethylpropanoylamino)ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNC(=O)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-11(2,3)9(15)13-7-8-14-10(16)12(4,5)6/h7-8H2,1-6H3,(H,13,15)(H,14,16)
InChIKeyJIUXOQPDAVCERS-UHFFFAOYSA-N
XLogP1.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropanoylamino)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(2,2-dimethylpropanoylamino)ethyl]-2,2-dimethylpropanamide (CID 3838667) is N-[2-(2,2-dimethylpropanoylamino)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(2,2-dimethylpropanoylamino)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(2,2-dimethylpropanoylamino)ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCNC(=O)C(C)(C)C.
What is the InChIKey of N-[2-(2,2-dimethylpropanoylamino)ethyl]-2,2-dimethylpropanamide?
The InChIKey is JIUXOQPDAVCERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2,3)9(15)13-7-8-14-10(16)12(4,5)6/h7-8H2,1-6H3,(H,13,15)(H,14,16).
What are the key properties of N-[2-(2,2-dimethylpropanoylamino)ethyl]-2,2-dimethylpropanamide?
N-[2-(2,2-dimethylpropanoylamino)ethyl]-2,2-dimethylpropanamide has a molecular weight of 228.34 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylpropanoylamino)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 3838667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).