2-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide

C15H29NO6 — CID 138726748

IUPAC2-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide
SMILESCCC(=O)COCCOCCOCCOCC(=O)NC(C)C
InChIInChI=1S/C15H29NO6/c1-4-14(17)11-21-9-7-19-5-6-20-8-10-22-12-15(18)16-13(2)3/h13H,4-12H2,1-3H3,(H,16,18)
InChIKeyCMJGJZZLSZBGKP-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.56
Rot. Bonds15

About 2-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide

2-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide (PubChem CID 138726748) has the molecular formula C15H29NO6 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide
PubChem CID138726748
Molecular FormulaC15H29NO6
Molecular Weight319.40 g/mol
Exact Mass319.20
IUPAC Name2-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide
SMILESCCC(=O)COCCOCCOCCOCC(=O)NC(C)C
InChIInChI=1S/C15H29NO6/c1-4-14(17)11-21-9-7-19-5-6-20-8-10-22-12-15(18)16-13(2)3/h13H,4-12H2,1-3H3,(H,16,18)
InChIKeyCMJGJZZLSZBGKP-UHFFFAOYSA-N
XLogP0.56
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide
CID 166950643
2-[2-(4-methyl-2-oxopentoxy)ethoxy]-N-propan-2-ylacetamide
CID 163605057
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 176981069
2-[3-(3-hydroxypropoxy)propoxy]-N-propan-2-ylacetamide
CID 146521578
1-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 89328911
1-[2-(2-aminoethoxy)ethoxy]butan-2-one;2,3-dimethylbutane;ethane
CID 142338769
N-propan-2-yl-3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 178062676
ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen
CID 178062930
N-propan-2-yl-2-[(2-propoxyacetyl)amino]propanamide
CID 107941779
2-[methyl(propan-2-yl)amino]-N-[2-[2-(2-oxobutoxy)ethoxy]ethyl]acetamide
CID 156820627
N-butan-2-yl-2-(2-methoxyethoxy)acetamide
CID 60650985
N-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethyl]acetamide
CID 155455431

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide (CID 138726748) is 2-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide is CCC(=O)COCCOCCOCCOCC(=O)NC(C)C.
What is the InChIKey of 2-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide?
The InChIKey is CMJGJZZLSZBGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO6/c1-4-14(17)11-21-9-7-19-5-6-20-8-10-22-12-15(18)16-13(2)3/h13H,4-12H2,1-3H3,(H,16,18).
What are the key properties of 2-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide?
2-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide has a molecular weight of 319.40 g/mol, XLogP of 0.56, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 138726748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).