N-[2-(dimethylamino)ethyl]-2-ethyl-4-oxohexanamide;ethane

C14H30N2O2 — CID 154679925

IUPACN-[2-(dimethylamino)ethyl]-2-ethyl-4-oxohexanamide;ethane
SMILESCC.CCC(=O)CC(CC)C(=O)NCCN(C)C
InChIInChI=1S/C12H24N2O2.C2H6/c1-5-10(9-11(15)6-2)12(16)13-7-8-14(3)4;1-2/h10H,5-9H2,1-4H3,(H,13,16);1-2H3
InChIKeyAYYYNAYLCFXXFQ-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.09
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-2-ethyl-4-oxohexanamide;ethane

N-[2-(dimethylamino)ethyl]-2-ethyl-4-oxohexanamide;ethane (PubChem CID 154679925) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-ethyl-4-oxohexanamide;ethane.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-ethyl-4-oxohexanamide;ethane
PubChem CID154679925
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN-[2-(dimethylamino)ethyl]-2-ethyl-4-oxohexanamide;ethane
SMILESCC.CCC(=O)CC(CC)C(=O)NCCN(C)C
InChIInChI=1S/C12H24N2O2.C2H6/c1-5-10(9-11(15)6-2)12(16)13-7-8-14(3)4;1-2/h10H,5-9H2,1-4H3,(H,13,16);1-2H3
InChIKeyAYYYNAYLCFXXFQ-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-ethyl-4-oxohexanamide;ethane?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-ethyl-4-oxohexanamide;ethane (CID 154679925) is N-[2-(dimethylamino)ethyl]-2-ethyl-4-oxohexanamide;ethane.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-ethyl-4-oxohexanamide;ethane?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-ethyl-4-oxohexanamide;ethane is CC.CCC(=O)CC(CC)C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-ethyl-4-oxohexanamide;ethane?
The InChIKey is AYYYNAYLCFXXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.C2H6/c1-5-10(9-11(15)6-2)12(16)13-7-8-14(3)4;1-2/h10H,5-9H2,1-4H3,(H,13,16);1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-ethyl-4-oxohexanamide;ethane?
N-[2-(dimethylamino)ethyl]-2-ethyl-4-oxohexanamide;ethane has a molecular weight of 258.41 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-ethyl-4-oxohexanamide;ethane is sourced from PubChem (CID 154679925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).