2-ethyl-N-methyl-N-octylhexanamide

C17H35NO — CID 135285097

IUPAC2-ethyl-N-methyl-N-octylhexanamide
SMILESCCCCCCCCN(C)C(=O)C(CC)CCCC
InChIInChI=1S/C17H35NO/c1-5-8-10-11-12-13-15-18(4)17(19)16(7-3)14-9-6-2/h16H,5-15H2,1-4H3
InChIKeyDSBSWMSFCRXHQH-UHFFFAOYSA-N
MW269.47 g/mol
LogP5.02
Rot. Bonds12

About 2-ethyl-N-methyl-N-octylhexanamide

2-ethyl-N-methyl-N-octylhexanamide (PubChem CID 135285097) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N-octylhexanamide.

Molecular Properties

Compound Name2-ethyl-N-methyl-N-octylhexanamide
PubChem CID135285097
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name2-ethyl-N-methyl-N-octylhexanamide
SMILESCCCCCCCCN(C)C(=O)C(CC)CCCC
InChIInChI=1S/C17H35NO/c1-5-8-10-11-12-13-15-18(4)17(19)16(7-3)14-9-6-2/h16H,5-15H2,1-4H3
InChIKeyDSBSWMSFCRXHQH-UHFFFAOYSA-N
XLogP5.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.47
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N-octylhexanamide?
The IUPAC name of 2-ethyl-N-methyl-N-octylhexanamide (CID 135285097) is 2-ethyl-N-methyl-N-octylhexanamide.
What is the SMILES notation for 2-ethyl-N-methyl-N-octylhexanamide?
The canonical SMILES for 2-ethyl-N-methyl-N-octylhexanamide is CCCCCCCCN(C)C(=O)C(CC)CCCC.
What is the InChIKey of 2-ethyl-N-methyl-N-octylhexanamide?
The InChIKey is DSBSWMSFCRXHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-5-8-10-11-12-13-15-18(4)17(19)16(7-3)14-9-6-2/h16H,5-15H2,1-4H3.
What are the key properties of 2-ethyl-N-methyl-N-octylhexanamide?
2-ethyl-N-methyl-N-octylhexanamide has a molecular weight of 269.47 g/mol, XLogP of 5.02, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N-octylhexanamide is sourced from PubChem (CID 135285097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).