2,2-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]propanamide

C11H22N2O2 — CID 58856970

IUPAC2,2-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(=O)C(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-8(2)9(14)12-6-7-13-10(15)11(3,4)5/h8H,6-7H2,1-5H3,(H,12,14)(H,13,15)
InChIKeyUETROBXDLDXCID-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.92
Rot. Bonds4

About 2,2-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]propanamide

2,2-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]propanamide (PubChem CID 58856970) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]propanamide
PubChem CID58856970
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2,2-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]propanamide
SMILESCC(C)C(=O)NCCNC(=O)C(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-8(2)9(14)12-6-7-13-10(15)11(3,4)5/h8H,6-7H2,1-5H3,(H,12,14)(H,13,15)
InChIKeyUETROBXDLDXCID-UHFFFAOYSA-N
XLogP0.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.92
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 2,2-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]propanamide (CID 58856970) is 2,2-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]propanamide is CC(C)C(=O)NCCNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]propanamide?
The InChIKey is UETROBXDLDXCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)9(14)12-6-7-13-10(15)11(3,4)5/h8H,6-7H2,1-5H3,(H,12,14)(H,13,15).
What are the key properties of 2,2-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]propanamide?
2,2-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]propanamide has a molecular weight of 214.31 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(2-methylpropanoylamino)ethyl]propanamide is sourced from PubChem (CID 58856970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).