2-ethyl-N-methylhexanamide

C9H19NO — CID 14216

IUPAC2-ethyl-N-methylhexanamide
SMILESCCCCC(CC)C(=O)NC
InChIInChI=1S/C9H19NO/c1-4-6-7-8(5-2)9(11)10-3/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyHJXLFVPMOMDPNR-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.95
Rot. Bonds5

About 2-ethyl-N-methylhexanamide

2-ethyl-N-methylhexanamide (PubChem CID 14216) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-ethyl-N-methylhexanamide.

Molecular Properties

Compound Name2-ethyl-N-methylhexanamide
PubChem CID14216
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-ethyl-N-methylhexanamide
SMILESCCCCC(CC)C(=O)NC
InChIInChI=1S/C9H19NO/c1-4-6-7-8(5-2)9(11)10-3/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyHJXLFVPMOMDPNR-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methylhexanamide?
The IUPAC name of 2-ethyl-N-methylhexanamide (CID 14216) is 2-ethyl-N-methylhexanamide.
What is the SMILES notation for 2-ethyl-N-methylhexanamide?
The canonical SMILES for 2-ethyl-N-methylhexanamide is CCCCC(CC)C(=O)NC.
What is the InChIKey of 2-ethyl-N-methylhexanamide?
The InChIKey is HJXLFVPMOMDPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-6-7-8(5-2)9(11)10-3/h8H,4-7H2,1-3H3,(H,10,11).
What are the key properties of 2-ethyl-N-methylhexanamide?
2-ethyl-N-methylhexanamide has a molecular weight of 157.26 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methylhexanamide is sourced from PubChem (CID 14216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).