3-methyl-N-[2-(2-oxobutoxy)ethyl]butanamide

C11H21NO3 — CID 155077240

IUPAC3-methyl-N-[2-(2-oxobutoxy)ethyl]butanamide
SMILESCCC(=O)COCCNC(=O)CC(C)C
InChIInChI=1S/C11H21NO3/c1-4-10(13)8-15-6-5-12-11(14)7-9(2)3/h9H,4-8H2,1-3H3,(H,12,14)
InChIKeyKZYPMMCPBGYDQQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.14
Rot. Bonds8

About 3-methyl-N-[2-(2-oxobutoxy)ethyl]butanamide

3-methyl-N-[2-(2-oxobutoxy)ethyl]butanamide (PubChem CID 155077240) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-oxobutoxy)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-oxobutoxy)ethyl]butanamide
PubChem CID155077240
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-methyl-N-[2-(2-oxobutoxy)ethyl]butanamide
SMILESCCC(=O)COCCNC(=O)CC(C)C
InChIInChI=1S/C11H21NO3/c1-4-10(13)8-15-6-5-12-11(14)7-9(2)3/h9H,4-8H2,1-3H3,(H,12,14)
InChIKeyKZYPMMCPBGYDQQ-UHFFFAOYSA-N
XLogP1.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.14
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

N-(2-ethoxyethyl)-3-methylbutanamide
CID 58439580
3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 166662987
3-methyl-N-[2-[2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide;molecular hydrogen
CID 164557272
N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
CID 129177572
2-[methyl(propan-2-yl)amino]-N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]acetamide
CID 156820627
3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 129177570
N-[2-(2-chloroethoxy)ethyl]-3-methylbutanamide
CID 114297478
ethane;N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 171565273
N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide
CID 155455431
[2,5-dioxo-5-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]pentyl] 2-methyl-3-oxo-3-[2-[2-(2-oxobutoxy)ethoxy]ethylamino]propanoate
CID 157417113
3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide
CID 178063167
3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide
CID 170139012

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-oxobutoxy)ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-(2-oxobutoxy)ethyl]butanamide (CID 155077240) is 3-methyl-N-[2-(2-oxobutoxy)ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(2-oxobutoxy)ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-(2-oxobutoxy)ethyl]butanamide is CCC(=O)COCCNC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-[2-(2-oxobutoxy)ethyl]butanamide?
The InChIKey is KZYPMMCPBGYDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-10(13)8-15-6-5-12-11(14)7-9(2)3/h9H,4-8H2,1-3H3,(H,12,14).
What are the key properties of 3-methyl-N-[2-(2-oxobutoxy)ethyl]butanamide?
3-methyl-N-[2-(2-oxobutoxy)ethyl]butanamide has a molecular weight of 215.29 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-oxobutoxy)ethyl]butanamide is sourced from PubChem (CID 155077240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).