2-methyl-2-(7-methyl-6-oxooctoxy)propanamide

C13H25NO3 — CID 163841187

IUPAC2-methyl-2-(7-methyl-6-oxooctoxy)propanamide
SMILESCC(C)C(=O)CCCCCOC(C)(C)C(N)=O
InChIInChI=1S/C13H25NO3/c1-10(2)11(15)8-6-5-7-9-17-13(3,4)12(14)16/h10H,5-9H2,1-4H3,(H2,14,16)
InChIKeyOMDNYLJCIPPYKN-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.05
Rot. Bonds9

About 2-methyl-2-(7-methyl-6-oxooctoxy)propanamide

2-methyl-2-(7-methyl-6-oxooctoxy)propanamide (PubChem CID 163841187) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-methyl-2-(7-methyl-6-oxooctoxy)propanamide.

Molecular Properties

Compound Name2-methyl-2-(7-methyl-6-oxooctoxy)propanamide
PubChem CID163841187
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-methyl-2-(7-methyl-6-oxooctoxy)propanamide
SMILESCC(C)C(=O)CCCCCOC(C)(C)C(N)=O
InChIInChI=1S/C13H25NO3/c1-10(2)11(15)8-6-5-7-9-17-13(3,4)12(14)16/h10H,5-9H2,1-4H3,(H2,14,16)
InChIKeyOMDNYLJCIPPYKN-UHFFFAOYSA-N
XLogP2.05
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.05
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-[3-methyl-3-(7-methyl-6-oxooctoxy)-2-oxobutyl]acetamide
CID 90221510
9-methyl-8-oxodecanamide
CID 168891746
8-(2-methoxyethoxy)-2-methyloctan-3-one
CID 103413613
2-(2-hydroxyethoxy)-2-methylpropanamide
CID 173016422
2-methyl-8-[2-[2-(7-methyloctoxy)ethoxy]ethoxy]octan-3-one
CID 170679761
2-methyl-2-(2-methylpropoxy)propanamide
CID 137483152
2-methyl-8-[2-[2-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octan-3-one
CID 165106129
2-methyl-6-[2-(7-methyloctoxy)ethoxy]hexan-3-one
CID 164970854
14-methylpentadecane-2,13-dione
CID 88544438
2-methylhexadecan-3-one
CID 58030381
2,5-dimethyl-5-(3-methylbutoxy)hexan-3-one;6-methyl-5-oxoheptanamide
CID 171804821
12-methyltridecane-3,4,11-trione
CID 22953560

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(7-methyl-6-oxooctoxy)propanamide?
The IUPAC name of 2-methyl-2-(7-methyl-6-oxooctoxy)propanamide (CID 163841187) is 2-methyl-2-(7-methyl-6-oxooctoxy)propanamide.
What is the SMILES notation for 2-methyl-2-(7-methyl-6-oxooctoxy)propanamide?
The canonical SMILES for 2-methyl-2-(7-methyl-6-oxooctoxy)propanamide is CC(C)C(=O)CCCCCOC(C)(C)C(N)=O.
What is the InChIKey of 2-methyl-2-(7-methyl-6-oxooctoxy)propanamide?
The InChIKey is OMDNYLJCIPPYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10(2)11(15)8-6-5-7-9-17-13(3,4)12(14)16/h10H,5-9H2,1-4H3,(H2,14,16).
What are the key properties of 2-methyl-2-(7-methyl-6-oxooctoxy)propanamide?
2-methyl-2-(7-methyl-6-oxooctoxy)propanamide has a molecular weight of 243.35 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(7-methyl-6-oxooctoxy)propanamide is sourced from PubChem (CID 163841187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).