2-[2-(4-methyl-2-oxopentoxy)ethoxy]-N-propan-2-ylacetamide

C13H25NO4 — CID 163605057

IUPAC2-[2-(4-methyl-2-oxopentoxy)ethoxy]-N-propan-2-ylacetamide
SMILESCC(C)CC(=O)COCCOCC(=O)NC(C)C
InChIInChI=1S/C13H25NO4/c1-10(2)7-12(15)8-17-5-6-18-9-13(16)14-11(3)4/h10-11H,5-9H2,1-4H3,(H,14,16)
InChIKeyHXJPPIJQOSXCPE-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.16
Rot. Bonds10

About 2-[2-(4-methyl-2-oxopentoxy)ethoxy]-N-propan-2-ylacetamide

2-[2-(4-methyl-2-oxopentoxy)ethoxy]-N-propan-2-ylacetamide (PubChem CID 163605057) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[2-(4-methyl-2-oxopentoxy)ethoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(4-methyl-2-oxopentoxy)ethoxy]-N-propan-2-ylacetamide
PubChem CID163605057
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-[2-(4-methyl-2-oxopentoxy)ethoxy]-N-propan-2-ylacetamide
SMILESCC(C)CC(=O)COCCOCC(=O)NC(C)C
InChIInChI=1S/C13H25NO4/c1-10(2)7-12(15)8-17-5-6-18-9-13(16)14-11(3)4/h10-11H,5-9H2,1-4H3,(H,14,16)
InChIKeyHXJPPIJQOSXCPE-UHFFFAOYSA-N
XLogP1.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.16
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

2-(2-methyl-4-oxopentan-3-yl)oxy-N-(2-methylpropyl)acetamide
CID 20681255
3-Methyl-1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butan-2-one
CID 20729385
2-methoxy-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793505
2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]-N-propan-2-ylacetamide
CID 57558389
2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide
CID 57558394
3-Methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 57634911
2-(3-methyl-2-oxobutoxy)-N-propan-2-ylacetamide
CID 57639010
N-[2-(2-ethoxyethoxy)ethyl]-2-(2-oxobutoxy)acetamide
CID 57841548
N-[1-[2-(5-bromo-2-methyl-4-oxopentoxy)ethoxy]propan-2-yl]acetamide
CID 58153234
2-methoxy-N-[2-[2-(5-methoxy-4-oxopentoxy)ethoxy]ethyl]acetamide
CID 58281475
2-oxopropyl 4-methyl-2-[[(2S)-2-methylbutanoyl]amino]pentanoate
CID 58461750
2-amino-3-methyl-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]butanamide
CID 58663980

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-2-oxopentoxy)ethoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(4-methyl-2-oxopentoxy)ethoxy]-N-propan-2-ylacetamide (CID 163605057) is 2-[2-(4-methyl-2-oxopentoxy)ethoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(4-methyl-2-oxopentoxy)ethoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(4-methyl-2-oxopentoxy)ethoxy]-N-propan-2-ylacetamide is CC(C)CC(=O)COCCOCC(=O)NC(C)C.
What is the InChIKey of 2-[2-(4-methyl-2-oxopentoxy)ethoxy]-N-propan-2-ylacetamide?
The InChIKey is HXJPPIJQOSXCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-10(2)7-12(15)8-17-5-6-18-9-13(16)14-11(3)4/h10-11H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 2-[2-(4-methyl-2-oxopentoxy)ethoxy]-N-propan-2-ylacetamide?
2-[2-(4-methyl-2-oxopentoxy)ethoxy]-N-propan-2-ylacetamide has a molecular weight of 259.35 g/mol, XLogP of 1.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-2-oxopentoxy)ethoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 163605057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).