4-acetyl-2-ethyl-6-methyloctanamide

C13H25NO2 — CID 58825488

IUPAC4-acetyl-2-ethyl-6-methyloctanamide
SMILESCCC(C)CC(CC(CC)C(N)=O)C(C)=O
InChIInChI=1S/C13H25NO2/c1-5-9(3)7-12(10(4)15)8-11(6-2)13(14)16/h9,11-12H,5-8H2,1-4H3,(H2,14,16)
InChIKeySYUOTAHSVMDQMW-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.53
Rot. Bonds8

About 4-acetyl-2-ethyl-6-methyloctanamide

4-acetyl-2-ethyl-6-methyloctanamide (PubChem CID 58825488) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-acetyl-2-ethyl-6-methyloctanamide.

Molecular Properties

Compound Name4-acetyl-2-ethyl-6-methyloctanamide
PubChem CID58825488
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-acetyl-2-ethyl-6-methyloctanamide
SMILESCCC(C)CC(CC(CC)C(N)=O)C(C)=O
InChIInChI=1S/C13H25NO2/c1-5-9(3)7-12(10(4)15)8-11(6-2)13(14)16/h9,11-12H,5-8H2,1-4H3,(H2,14,16)
InChIKeySYUOTAHSVMDQMW-UHFFFAOYSA-N
XLogP2.53
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-6,6,6-trifluoro-4-methylhexanamide
CID 20705384
1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide
CID 89449425
(2R)-2,4-diethylhexanamide
CID 95562524
4-carbamoyl-2-methylhexanoic acid
CID 20783257
4,6-dicarbamoyl-2-methyloctanoic acid
CID 89382059
dodecane-2,4,6,8-tetracarboxamide
CID 89075509
4-carbamoylhexane-2-sulfinic acid
CID 58120546
ethane;3-ethyl-5-methylhexan-2-one
CID 143623383
(2S)-2-ethyl-3,5-dimethylheptanamide
CID 143378708
2-(aminomethyl)-N,4-dimethylhexanamide
CID 62313426
(2S,4R)-4-carbamoyl-2-propylhexanoic acid
CID 59815875
2-(aminomethyl)-4-methyl-N-propylhexanamide
CID 62313782

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-ethyl-6-methyloctanamide?
The IUPAC name of 4-acetyl-2-ethyl-6-methyloctanamide (CID 58825488) is 4-acetyl-2-ethyl-6-methyloctanamide.
What is the SMILES notation for 4-acetyl-2-ethyl-6-methyloctanamide?
The canonical SMILES for 4-acetyl-2-ethyl-6-methyloctanamide is CCC(C)CC(CC(CC)C(N)=O)C(C)=O.
What is the InChIKey of 4-acetyl-2-ethyl-6-methyloctanamide?
The InChIKey is SYUOTAHSVMDQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-9(3)7-12(10(4)15)8-11(6-2)13(14)16/h9,11-12H,5-8H2,1-4H3,(H2,14,16).
What are the key properties of 4-acetyl-2-ethyl-6-methyloctanamide?
4-acetyl-2-ethyl-6-methyloctanamide has a molecular weight of 227.35 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-ethyl-6-methyloctanamide is sourced from PubChem (CID 58825488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).