3-methyl-N-[4-(4-methyl-3-oxopentoxy)-2-oxobutyl]butanamide

C15H27NO4 — CID 162778888

IUPAC3-methyl-N-[4-(4-methyl-3-oxopentoxy)-2-oxobutyl]butanamide
SMILESCC(C)CC(=O)NCC(=O)CCOCCC(=O)C(C)C
InChIInChI=1S/C15H27NO4/c1-11(2)9-15(19)16-10-13(17)5-7-20-8-6-14(18)12(3)4/h11-12H,5-10H2,1-4H3,(H,16,19)
InChIKeySPRDFKJDAFFGOF-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.74
Rot. Bonds11

About 3-methyl-N-[4-(4-methyl-3-oxopentoxy)-2-oxobutyl]butanamide

3-methyl-N-[4-(4-methyl-3-oxopentoxy)-2-oxobutyl]butanamide (PubChem CID 162778888) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 3-methyl-N-[4-(4-methyl-3-oxopentoxy)-2-oxobutyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-(4-methyl-3-oxopentoxy)-2-oxobutyl]butanamide
PubChem CID162778888
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name3-methyl-N-[4-(4-methyl-3-oxopentoxy)-2-oxobutyl]butanamide
SMILESCC(C)CC(=O)NCC(=O)CCOCCC(=O)C(C)C
InChIInChI=1S/C15H27NO4/c1-11(2)9-15(19)16-10-13(17)5-7-20-8-6-14(18)12(3)4/h11-12H,5-10H2,1-4H3,(H,16,19)
InChIKeySPRDFKJDAFFGOF-UHFFFAOYSA-N
XLogP1.74
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.74
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

ethane;methane;3-methyl-N-[2-(5-methyl-4-oxohexoxy)ethyl]butanamide
CID 160711041
6-methyl-1-[2-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-4-one
CID 164986006
3-methyl-N-(4-methyl-3-oxopentyl)butanamide
CID 153392843
5-methyl-1-(5-methyl-3-oxohexoxy)hexan-3-one
CID 57139233
3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 166662987
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentan-3-one
CID 176767842
3-methyl-N-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 129177570
5-methyl-4-oxo-N-[2-[2-(3-oxopentoxy)ethoxy]ethyl]hexanamide
CID 162740350
3-methyl-N-[2-[3-oxo-3-(propan-2-ylamino)propoxy]ethyl]butanamide
CID 178063167
4-methyl-1-[2-(2-propoxyethoxy)ethoxy]pentan-3-one
CID 140823499
6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 168756309
N-[2-(4-methyl-3-oxopentoxy)ethyl]-2-methylsulfanylacetamide
CID 121480756

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(4-methyl-3-oxopentoxy)-2-oxobutyl]butanamide?
The IUPAC name of 3-methyl-N-[4-(4-methyl-3-oxopentoxy)-2-oxobutyl]butanamide (CID 162778888) is 3-methyl-N-[4-(4-methyl-3-oxopentoxy)-2-oxobutyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-(4-methyl-3-oxopentoxy)-2-oxobutyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-(4-methyl-3-oxopentoxy)-2-oxobutyl]butanamide is CC(C)CC(=O)NCC(=O)CCOCCC(=O)C(C)C.
What is the InChIKey of 3-methyl-N-[4-(4-methyl-3-oxopentoxy)-2-oxobutyl]butanamide?
The InChIKey is SPRDFKJDAFFGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-11(2)9-15(19)16-10-13(17)5-7-20-8-6-14(18)12(3)4/h11-12H,5-10H2,1-4H3,(H,16,19).
What are the key properties of 3-methyl-N-[4-(4-methyl-3-oxopentoxy)-2-oxobutyl]butanamide?
3-methyl-N-[4-(4-methyl-3-oxopentoxy)-2-oxobutyl]butanamide has a molecular weight of 285.38 g/mol, XLogP of 1.74, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(4-methyl-3-oxopentoxy)-2-oxobutyl]butanamide is sourced from PubChem (CID 162778888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).