N-[2-(dimethylamino)-2-oxoethyl]-N,3,3-trimethylpentanamide

C12H24N2O2 — CID 130272423

IUPACN-[2-(dimethylamino)-2-oxoethyl]-N,3,3-trimethylpentanamide
SMILESCCC(C)(C)CC(=O)N(C)CC(=O)N(C)C
InChIInChI=1S/C12H24N2O2/c1-7-12(2,3)8-10(15)14(6)9-11(16)13(4)5/h7-9H2,1-6H3
InChIKeyZIIVMVJHCJRNFI-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.36
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-N,3,3-trimethylpentanamide

N-[2-(dimethylamino)-2-oxoethyl]-N,3,3-trimethylpentanamide (PubChem CID 130272423) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-N,3,3-trimethylpentanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-N,3,3-trimethylpentanamide
PubChem CID130272423
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-N,3,3-trimethylpentanamide
SMILESCCC(C)(C)CC(=O)N(C)CC(=O)N(C)C
InChIInChI=1S/C12H24N2O2/c1-7-12(2,3)8-10(15)14(6)9-11(16)13(4)5/h7-9H2,1-6H3
InChIKeyZIIVMVJHCJRNFI-UHFFFAOYSA-N
XLogP1.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N,3,3-trimethylpentanamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N,3,3-trimethylpentanamide (CID 130272423) is N-[2-(dimethylamino)-2-oxoethyl]-N,3,3-trimethylpentanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-N,3,3-trimethylpentanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-N,3,3-trimethylpentanamide is CCC(C)(C)CC(=O)N(C)CC(=O)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-N,3,3-trimethylpentanamide?
The InChIKey is ZIIVMVJHCJRNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-7-12(2,3)8-10(15)14(6)9-11(16)13(4)5/h7-9H2,1-6H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-N,3,3-trimethylpentanamide?
N-[2-(dimethylamino)-2-oxoethyl]-N,3,3-trimethylpentanamide has a molecular weight of 228.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-N,3,3-trimethylpentanamide is sourced from PubChem (CID 130272423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).