N-[2-(dimethylamino)-2-oxoethyl]-2,2,5-trimethylhexanamide

C13H26N2O2 — CID 130272123

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2,2,5-trimethylhexanamide
SMILESCC(C)CCC(C)(C)C(=O)NCC(=O)N(C)C
InChIInChI=1S/C13H26N2O2/c1-10(2)7-8-13(3,4)12(17)14-9-11(16)15(5)6/h10H,7-9H2,1-6H3,(H,14,17)
InChIKeyDYARPWJBDJRBCT-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.65
Rot. Bonds6

About N-[2-(dimethylamino)-2-oxoethyl]-2,2,5-trimethylhexanamide

N-[2-(dimethylamino)-2-oxoethyl]-2,2,5-trimethylhexanamide (PubChem CID 130272123) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2,2,5-trimethylhexanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2,2,5-trimethylhexanamide
PubChem CID130272123
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2,2,5-trimethylhexanamide
SMILESCC(C)CCC(C)(C)C(=O)NCC(=O)N(C)C
InChIInChI=1S/C13H26N2O2/c1-10(2)7-8-13(3,4)12(17)14-9-11(16)15(5)6/h10H,7-9H2,1-6H3,(H,14,17)
InChIKeyDYARPWJBDJRBCT-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.65
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]-2,2,5-trimethylhexanamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2,2,5-trimethylhexanamide (CID 130272123) is N-[2-(dimethylamino)-2-oxoethyl]-2,2,5-trimethylhexanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2,2,5-trimethylhexanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2,2,5-trimethylhexanamide is CC(C)CCC(C)(C)C(=O)NCC(=O)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2,2,5-trimethylhexanamide?
The InChIKey is DYARPWJBDJRBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)7-8-13(3,4)12(17)14-9-11(16)15(5)6/h10H,7-9H2,1-6H3,(H,14,17).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2,2,5-trimethylhexanamide?
N-[2-(dimethylamino)-2-oxoethyl]-2,2,5-trimethylhexanamide has a molecular weight of 242.36 g/mol, XLogP of 1.65, 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]-2,2,5-trimethylhexanamide is sourced from PubChem (CID 130272123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).