3-methyl-N-[6-[2-(3-oxobutoxy)ethoxy]hexyl]butanamide

C17H33NO4 — CID 154642812

IUPAC3-methyl-N-[6-[2-(3-oxobutoxy)ethoxy]hexyl]butanamide
SMILESCC(=O)CCOCCOCCCCCCNC(=O)CC(C)C
InChIInChI=1S/C17H33NO4/c1-15(2)14-17(20)18-9-6-4-5-7-10-21-12-13-22-11-8-16(3)19/h15H,4-14H2,1-3H3,(H,18,20)
InChIKeyNDQQHXUFBBPNLM-UHFFFAOYSA-N
MW315.45 g/mol
LogP2.72
Rot. Bonds15

About 3-methyl-N-[6-[2-(3-oxobutoxy)ethoxy]hexyl]butanamide

3-methyl-N-[6-[2-(3-oxobutoxy)ethoxy]hexyl]butanamide (PubChem CID 154642812) has the molecular formula C17H33NO4 and a molecular weight of 315.45 g/mol. Its IUPAC name is 3-methyl-N-[6-[2-(3-oxobutoxy)ethoxy]hexyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[6-[2-(3-oxobutoxy)ethoxy]hexyl]butanamide
PubChem CID154642812
Molecular FormulaC17H33NO4
Molecular Weight315.45 g/mol
Exact Mass315.24
IUPAC Name3-methyl-N-[6-[2-(3-oxobutoxy)ethoxy]hexyl]butanamide
SMILESCC(=O)CCOCCOCCCCCCNC(=O)CC(C)C
InChIInChI=1S/C17H33NO4/c1-15(2)14-17(20)18-9-6-4-5-7-10-21-12-13-22-11-8-16(3)19/h15H,4-14H2,1-3H3,(H,18,20)
InChIKeyNDQQHXUFBBPNLM-UHFFFAOYSA-N
XLogP2.72
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(10-oxoundecyl)butanamide
CID 167541538
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 166662987
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
N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
CID 129177572
3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 129177570
N-(2-methylpropyl)-3-[2-(3-oxobutoxy)ethoxy]propanamide
CID 156820477
3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide
CID 178063167
ethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide
CID 160711041
N-[5-[2-(5-acetamidopentoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 142616275
ethane;N-[5-[5-(2-oxopropoxy)pentoxy]pentyl]butanamide
CID 156794458

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-[2-(3-oxobutoxy)ethoxy]hexyl]butanamide?
The IUPAC name of 3-methyl-N-[6-[2-(3-oxobutoxy)ethoxy]hexyl]butanamide (CID 154642812) is 3-methyl-N-[6-[2-(3-oxobutoxy)ethoxy]hexyl]butanamide.
What is the SMILES notation for 3-methyl-N-[6-[2-(3-oxobutoxy)ethoxy]hexyl]butanamide?
The canonical SMILES for 3-methyl-N-[6-[2-(3-oxobutoxy)ethoxy]hexyl]butanamide is CC(=O)CCOCCOCCCCCCNC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-[6-[2-(3-oxobutoxy)ethoxy]hexyl]butanamide?
The InChIKey is NDQQHXUFBBPNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO4/c1-15(2)14-17(20)18-9-6-4-5-7-10-21-12-13-22-11-8-16(3)19/h15H,4-14H2,1-3H3,(H,18,20).
What are the key properties of 3-methyl-N-[6-[2-(3-oxobutoxy)ethoxy]hexyl]butanamide?
3-methyl-N-[6-[2-(3-oxobutoxy)ethoxy]hexyl]butanamide has a molecular weight of 315.45 g/mol, XLogP of 2.72, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-[2-(3-oxobutoxy)ethoxy]hexyl]butanamide is sourced from PubChem (CID 154642812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).