9-ethyl-N,N-dimethyl-6-oxododecanamide

C16H31NO2 — CID 58332884

IUPAC9-ethyl-N,N-dimethyl-6-oxododecanamide
SMILESCCCC(CC)CCC(=O)CCCCC(=O)N(C)C
InChIInChI=1S/C16H31NO2/c1-5-9-14(6-2)12-13-15(18)10-7-8-11-16(19)17(3)4/h14H,5-13H2,1-4H3
InChIKeyRQAFPLJEKCVGDY-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.81
Rot. Bonds11

About 9-ethyl-N,N-dimethyl-6-oxododecanamide

9-ethyl-N,N-dimethyl-6-oxododecanamide (PubChem CID 58332884) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 9-ethyl-N,N-dimethyl-6-oxododecanamide.

Molecular Properties

Compound Name9-ethyl-N,N-dimethyl-6-oxododecanamide
PubChem CID58332884
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name9-ethyl-N,N-dimethyl-6-oxododecanamide
SMILESCCCC(CC)CCC(=O)CCCCC(=O)N(C)C
InChIInChI=1S/C16H31NO2/c1-5-9-14(6-2)12-13-15(18)10-7-8-11-16(19)17(3)4/h14H,5-13H2,1-4H3
InChIKeyRQAFPLJEKCVGDY-UHFFFAOYSA-N
XLogP3.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 9-ethyl-N,N-dimethyl-6-oxododecanamide?
The IUPAC name of 9-ethyl-N,N-dimethyl-6-oxododecanamide (CID 58332884) is 9-ethyl-N,N-dimethyl-6-oxododecanamide.
What is the SMILES notation for 9-ethyl-N,N-dimethyl-6-oxododecanamide?
The canonical SMILES for 9-ethyl-N,N-dimethyl-6-oxododecanamide is CCCC(CC)CCC(=O)CCCCC(=O)N(C)C.
What is the InChIKey of 9-ethyl-N,N-dimethyl-6-oxododecanamide?
The InChIKey is RQAFPLJEKCVGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-5-9-14(6-2)12-13-15(18)10-7-8-11-16(19)17(3)4/h14H,5-13H2,1-4H3.
What are the key properties of 9-ethyl-N,N-dimethyl-6-oxododecanamide?
9-ethyl-N,N-dimethyl-6-oxododecanamide has a molecular weight of 269.43 g/mol, XLogP of 3.81, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-N,N-dimethyl-6-oxododecanamide is sourced from PubChem (CID 58332884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).