N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylhexanamide

C12H24N2O2 — CID 118669220

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylhexanamide
SMILESCCCCC(C)(C)C(=O)NCC(=O)N(C)C
InChIInChI=1S/C12H24N2O2/c1-6-7-8-12(2,3)11(16)13-9-10(15)14(4)5/h6-9H2,1-5H3,(H,13,16)
InChIKeyGXAQCQDBEFTYQJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.41
Rot. Bonds6

About N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylhexanamide

N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylhexanamide (PubChem CID 118669220) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylhexanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylhexanamide
PubChem CID118669220
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylhexanamide
SMILESCCCCC(C)(C)C(=O)NCC(=O)N(C)C
InChIInChI=1S/C12H24N2O2/c1-6-7-8-12(2,3)11(16)13-9-10(15)14(4)5/h6-9H2,1-5H3,(H,13,16)
InChIKeyGXAQCQDBEFTYQJ-UHFFFAOYSA-N
XLogP1.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylhexanamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylhexanamide (CID 118669220) is N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylhexanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylhexanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylhexanamide is CCCCC(C)(C)C(=O)NCC(=O)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylhexanamide?
The InChIKey is GXAQCQDBEFTYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-6-7-8-12(2,3)11(16)13-9-10(15)14(4)5/h6-9H2,1-5H3,(H,13,16).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylhexanamide?
N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylhexanamide has a molecular weight of 228.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylhexanamide is sourced from PubChem (CID 118669220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).