N,N-diethyl-3-methyl-2-oxononanamide

C14H27NO2 — CID 71405261

IUPACN,N-diethyl-3-methyl-2-oxononanamide
SMILESCCCCCCC(C)C(=O)C(=O)N(CC)CC
InChIInChI=1S/C14H27NO2/c1-5-8-9-10-11-12(4)13(16)14(17)15(6-2)7-3/h12H,5-11H2,1-4H3
InChIKeyOTKUMPAAEOVRDW-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.03
Rot. Bonds9

About N,N-diethyl-3-methyl-2-oxononanamide

N,N-diethyl-3-methyl-2-oxononanamide (PubChem CID 71405261) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N,N-diethyl-3-methyl-2-oxononanamide.

Molecular Properties

Compound NameN,N-diethyl-3-methyl-2-oxononanamide
PubChem CID71405261
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN,N-diethyl-3-methyl-2-oxononanamide
SMILESCCCCCCC(C)C(=O)C(=O)N(CC)CC
InChIInChI=1S/C14H27NO2/c1-5-8-9-10-11-12(4)13(16)14(17)15(6-2)7-3/h12H,5-11H2,1-4H3
InChIKeyOTKUMPAAEOVRDW-UHFFFAOYSA-N
XLogP3.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyltridecan-2-one
CID 58341645
3-methyloctadecan-2-one
CID 89177698
3-methylundecan-2-one
CID 12634600
heptane;2-methylheptadecanoic acid
CID 175511035
N,N-diethyl-2-octyldodecanamide
CID 54517458
2,4-dimethyldecan-3-one
CID 79298815
(2S)-2-methyloctadecanoyl chloride
CID 88703138
2-methyldecanoyl chloride
CID 19022279
2-methyloctanoic acid chloride
CID 86745562
octan-2-yl N,N-diethylcarbamate
CID 175430238
(3R)-3-methyloctan-2-one
CID 158725350
2-methyloctanoyl 2-methyloctaneperoxoate
CID 71367675

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methyl-2-oxononanamide?
The IUPAC name of N,N-diethyl-3-methyl-2-oxononanamide (CID 71405261) is N,N-diethyl-3-methyl-2-oxononanamide.
What is the SMILES notation for N,N-diethyl-3-methyl-2-oxononanamide?
The canonical SMILES for N,N-diethyl-3-methyl-2-oxononanamide is CCCCCCC(C)C(=O)C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-3-methyl-2-oxononanamide?
The InChIKey is OTKUMPAAEOVRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-8-9-10-11-12(4)13(16)14(17)15(6-2)7-3/h12H,5-11H2,1-4H3.
What are the key properties of N,N-diethyl-3-methyl-2-oxononanamide?
N,N-diethyl-3-methyl-2-oxononanamide has a molecular weight of 241.37 g/mol, XLogP of 3.03, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methyl-2-oxononanamide is sourced from PubChem (CID 71405261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).