ethane;(3S)-3-ethyl-N-methyl-2-oxohexanamide

C11H23NO2 — CID 143355170

IUPACethane;(3S)-3-ethyl-N-methyl-2-oxohexanamide
SMILESCC.CCC[C@H](CC)C(=O)C(=O)NC
InChIInChI=1S/C9H17NO2.C2H6/c1-4-6-7(5-2)8(11)9(12)10-3;1-2/h7H,4-6H2,1-3H3,(H,10,12);1-2H3/t7-;/m0./s1
InChIKeyAFGGCIOLJWMBJV-FJXQXJEOSA-N
MW201.31 g/mol
LogP2.15
Rot. Bonds5

About ethane;(3S)-3-ethyl-N-methyl-2-oxohexanamide

ethane;(3S)-3-ethyl-N-methyl-2-oxohexanamide (PubChem CID 143355170) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethane;(3S)-3-ethyl-N-methyl-2-oxohexanamide.

Molecular Properties

Compound Nameethane;(3S)-3-ethyl-N-methyl-2-oxohexanamide
PubChem CID143355170
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethane;(3S)-3-ethyl-N-methyl-2-oxohexanamide
SMILESCC.CCC[C@H](CC)C(=O)C(=O)NC
InChIInChI=1S/C9H17NO2.C2H6/c1-4-6-7(5-2)8(11)9(12)10-3;1-2/h7H,4-6H2,1-3H3,(H,10,12);1-2H3/t7-;/m0./s1
InChIKeyAFGGCIOLJWMBJV-FJXQXJEOSA-N
XLogP2.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-methylpentanamide
CID 55287466
3-amino-N-methyl-2-oxohexanamide
CID 89245081
2-ethyl-N-methylpentanamide;molecular hydrogen
CID 142188922
3-amino-N-methyl-2-oxohexanamide;ethane;molecular hydrogen
CID 145466676
ethane;2-ethylpentanamide
CID 178117178
2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
7,10-diethylhexadecane-8,9-dione
CID 150805323
2-ethylpentanethioic S-acid
CID 18377889
2-ethyl-N-methyltetradecanamide
CID 161072731
2-ethyl-6-propylheptanedioic acid
CID 154140899
2-ethylpentanamide;hydrochloride
CID 121334657

Frequently Asked Questions

What is the IUPAC name of ethane;(3S)-3-ethyl-N-methyl-2-oxohexanamide?
The IUPAC name of ethane;(3S)-3-ethyl-N-methyl-2-oxohexanamide (CID 143355170) is ethane;(3S)-3-ethyl-N-methyl-2-oxohexanamide.
What is the SMILES notation for ethane;(3S)-3-ethyl-N-methyl-2-oxohexanamide?
The canonical SMILES for ethane;(3S)-3-ethyl-N-methyl-2-oxohexanamide is CC.CCC[C@H](CC)C(=O)C(=O)NC.
What is the InChIKey of ethane;(3S)-3-ethyl-N-methyl-2-oxohexanamide?
The InChIKey is AFGGCIOLJWMBJV-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H17NO2.C2H6/c1-4-6-7(5-2)8(11)9(12)10-3;1-2/h7H,4-6H2,1-3H3,(H,10,12);1-2H3/t7-;/m0./s1.
What are the key properties of ethane;(3S)-3-ethyl-N-methyl-2-oxohexanamide?
ethane;(3S)-3-ethyl-N-methyl-2-oxohexanamide has a molecular weight of 201.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3S)-3-ethyl-N-methyl-2-oxohexanamide is sourced from PubChem (CID 143355170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).