2-ethyl-N-methoxy-N-methylhexanamide

C10H21NO2 — CID 60729789

IUPAC2-ethyl-N-methoxy-N-methylhexanamide
SMILESCCCCC(CC)C(=O)N(C)OC
InChIInChI=1S/C10H21NO2/c1-5-7-8-9(6-2)10(12)11(3)13-4/h9H,5-8H2,1-4H3
InChIKeyNWBYLRTXCRACKB-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.22
Rot. Bonds6

About 2-ethyl-N-methoxy-N-methylhexanamide

2-ethyl-N-methoxy-N-methylhexanamide (PubChem CID 60729789) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-ethyl-N-methoxy-N-methylhexanamide.

Molecular Properties

Compound Name2-ethyl-N-methoxy-N-methylhexanamide
PubChem CID60729789
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-ethyl-N-methoxy-N-methylhexanamide
SMILESCCCCC(CC)C(=O)N(C)OC
InChIInChI=1S/C10H21NO2/c1-5-7-8-9(6-2)10(12)11(3)13-4/h9H,5-8H2,1-4H3
InChIKeyNWBYLRTXCRACKB-UHFFFAOYSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methoxy-N-methylhexanamide?
The IUPAC name of 2-ethyl-N-methoxy-N-methylhexanamide (CID 60729789) is 2-ethyl-N-methoxy-N-methylhexanamide.
What is the SMILES notation for 2-ethyl-N-methoxy-N-methylhexanamide?
The canonical SMILES for 2-ethyl-N-methoxy-N-methylhexanamide is CCCCC(CC)C(=O)N(C)OC.
What is the InChIKey of 2-ethyl-N-methoxy-N-methylhexanamide?
The InChIKey is NWBYLRTXCRACKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-7-8-9(6-2)10(12)11(3)13-4/h9H,5-8H2,1-4H3.
What are the key properties of 2-ethyl-N-methoxy-N-methylhexanamide?
2-ethyl-N-methoxy-N-methylhexanamide has a molecular weight of 187.28 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methoxy-N-methylhexanamide is sourced from PubChem (CID 60729789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).