2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide

C12H24N2O4 — CID 166950643

IUPAC2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COCCOCC(=O)NC(C)C
InChIInChI=1S/C12H24N2O4/c1-9(2)13-11(15)7-17-5-6-18-8-12(16)14-10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyYWDWJCOPHGZIFA-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.07
Rot. Bonds9

About 2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide

2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide (PubChem CID 166950643) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide
PubChem CID166950643
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COCCOCC(=O)NC(C)C
InChIInChI=1S/C12H24N2O4/c1-9(2)13-11(15)7-17-5-6-18-8-12(16)14-10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyYWDWJCOPHGZIFA-UHFFFAOYSA-N
XLogP0.07
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.07
H-Bond Donors ≤ 52
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-[2-[2-(2-oxobutoxy)ethoxy]ethoxy]ethoxy]-N-propan-2-ylacetamide
CID 138726748
2-[2-(4-methyl-2-oxopentoxy)ethoxy]-N-propan-2-ylacetamide
CID 163605057
2-[3-(3-hydroxypropoxy)propoxy]-N-propan-2-ylacetamide
CID 146521578
ethane;N-propan-2-yl-2-propan-2-yloxyacetamide
CID 167679831
N-propan-2-yl-2-[(2-propoxyacetyl)amino]propanamide
CID 107941779
N-butan-2-yl-2-(2-methoxyethoxy)acetamide
CID 60650985
2-(2-methoxyethoxy)-N-pentan-2-ylacetamide
CID 103601639
3-[2-[[2-(3-methylbutoxy)acetyl]amino]-3-[3-oxo-3-(propan-2-ylamino)propoxy]propoxy]-N-propan-2-ylpropanamide
CID 170045344
ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen
CID 178062930
N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-methoxyethoxy)acetamide
CID 79255861
N-(3-methylbutan-2-yl)-2-[2-(propan-2-ylamino)ethoxy]acetamide
CID 62341645
N-propan-2-yl-3-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 178062676

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide (CID 166950643) is 2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide is CC(C)NC(=O)COCCOCC(=O)NC(C)C.
What is the InChIKey of 2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide?
The InChIKey is YWDWJCOPHGZIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-9(2)13-11(15)7-17-5-6-18-8-12(16)14-10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)(H,14,16).
What are the key properties of 2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide?
2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide has a molecular weight of 260.33 g/mol, XLogP of 0.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-oxo-2-(propan-2-ylamino)ethoxy]ethoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 166950643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).