N-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-4-oxohexanamide

C13H26N2O2 — CID 58165957

IUPACN-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-4-oxohexanamide
SMILESCN(C)CCN(C)C(=O)CCC(=O)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-13(2,3)11(16)7-8-12(17)15(6)10-9-14(4)5/h7-10H2,1-6H3
InChIKeyMYPFDDQZJHQKOJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-4-oxohexanamide

N-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-4-oxohexanamide (PubChem CID 58165957) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-4-oxohexanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-4-oxohexanamide
PubChem CID58165957
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-4-oxohexanamide
SMILESCN(C)CCN(C)C(=O)CCC(=O)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-13(2,3)11(16)7-8-12(17)15(6)10-9-14(4)5/h7-10H2,1-6H3
InChIKeyMYPFDDQZJHQKOJ-UHFFFAOYSA-N
XLogP1.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-4-oxohexanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-4-oxohexanamide (CID 58165957) is N-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-4-oxohexanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-4-oxohexanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-4-oxohexanamide is CN(C)CCN(C)C(=O)CCC(=O)C(C)(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-4-oxohexanamide?
The InChIKey is MYPFDDQZJHQKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)11(16)7-8-12(17)15(6)10-9-14(4)5/h7-10H2,1-6H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-4-oxohexanamide?
N-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-4-oxohexanamide has a molecular weight of 242.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N,5,5-trimethyl-4-oxohexanamide is sourced from PubChem (CID 58165957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).