ethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide

C17H37NO3 — CID 160711041

IUPACethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide
SMILESC.CC.CC(C)CC(=O)NCCOCCCC(=O)C(C)C
InChIInChI=1S/C14H27NO3.C2H6.CH4/c1-11(2)10-14(17)15-7-9-18-8-5-6-13(16)12(3)4;1-2;/h11-12H,5-10H2,1-4H3,(H,15,17);1-2H3;1H4
InChIKeyRRWAQJGOASWASL-UHFFFAOYSA-N
MW303.49 g/mol
LogP3.83
Rot. Bonds10

About ethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide

ethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide (PubChem CID 160711041) has the molecular formula C17H37NO3 and a molecular weight of 303.49 g/mol. Its IUPAC name is ethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide.

Molecular Properties

Compound Nameethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide
PubChem CID160711041
Molecular FormulaC17H37NO3
Molecular Weight303.49 g/mol
Exact Mass303.28
IUPAC Nameethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide
SMILESC.CC.CC(C)CC(=O)NCCOCCCC(=O)C(C)C
InChIInChI=1S/C14H27NO3.C2H6.CH4/c1-11(2)10-14(17)15-7-9-18-8-5-6-13(16)12(3)4;1-2;/h11-12H,5-10H2,1-4H3,(H,15,17);1-2H3;1H4
InChIKeyRRWAQJGOASWASL-UHFFFAOYSA-N
XLogP3.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 166662987
3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 129177570
3-methyl-N-(4-methyl-3-oxopentyl)butanamide
CID 153392843
3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide
CID 178063167
1-[2-[2-(5-methyl-4-oxohexoxy)ethoxy]ethyl]-3-(2-methylpropyl)urea
CID 157491190
N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
CID 129177572
N-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide
CID 114297478
4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide
CID 169317050
6-methyl-N-[2-[2-[2-[2-[2-[2-[3-(3-methylbutylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-oxoheptanamide
CID 176717444
N-(2-ethoxyethyl)-3-methylbutanamide
CID 58439580
N-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethyl]tetradecanamide
CID 156529774
3-methyl-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen
CID 164557272

Frequently Asked Questions

What is the IUPAC name of ethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide?
The IUPAC name of ethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide (CID 160711041) is ethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide.
What is the SMILES notation for ethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide?
The canonical SMILES for ethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide is C.CC.CC(C)CC(=O)NCCOCCCC(=O)C(C)C.
What is the InChIKey of ethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide?
The InChIKey is RRWAQJGOASWASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3.C2H6.CH4/c1-11(2)10-14(17)15-7-9-18-8-5-6-13(16)12(3)4;1-2;/h11-12H,5-10H2,1-4H3,(H,15,17);1-2H3;1H4.
What are the key properties of ethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide?
ethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide has a molecular weight of 303.49 g/mol, XLogP of 3.83, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide is sourced from PubChem (CID 160711041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).