N,2-diethylhexanamide

C10H21NO — CID 3028554

IUPACN,2-diethylhexanamide
SMILESCCCCC(CC)C(=O)NCC
InChIInChI=1S/C10H21NO/c1-4-7-8-9(5-2)10(12)11-6-3/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyXLCGTKDLMYYKMD-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.34
Rot. Bonds6

About N,2-diethylhexanamide

N,2-diethylhexanamide (PubChem CID 3028554) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N,2-diethylhexanamide.

Molecular Properties

Compound NameN,2-diethylhexanamide
PubChem CID3028554
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN,2-diethylhexanamide
SMILESCCCCC(CC)C(=O)NCC
InChIInChI=1S/C10H21NO/c1-4-7-8-9(5-2)10(12)11-6-3/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyXLCGTKDLMYYKMD-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,2-diethylhexanamide?
The IUPAC name of N,2-diethylhexanamide (CID 3028554) is N,2-diethylhexanamide.
What is the SMILES notation for N,2-diethylhexanamide?
The canonical SMILES for N,2-diethylhexanamide is CCCCC(CC)C(=O)NCC.
What is the InChIKey of N,2-diethylhexanamide?
The InChIKey is XLCGTKDLMYYKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-7-8-9(5-2)10(12)11-6-3/h9H,4-8H2,1-3H3,(H,11,12).
What are the key properties of N,2-diethylhexanamide?
N,2-diethylhexanamide has a molecular weight of 171.28 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethylhexanamide is sourced from PubChem (CID 3028554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).