1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one

C12H25NO4 — CID 138727906

IUPAC1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one
SMILESCC(=O)COCCOCCOCCNC(C)C
InChIInChI=1S/C12H25NO4/c1-11(2)13-4-5-15-6-7-16-8-9-17-10-12(3)14/h11,13H,4-10H2,1-3H3
InChIKeyKXTWVPVFDLABGX-UHFFFAOYSA-N
MW247.33 g/mol
LogP0.62
Rot. Bonds12

About 1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one

1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one (PubChem CID 138727906) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one.

Molecular Properties

Compound Name1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one
PubChem CID138727906
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one
SMILESCC(=O)COCCOCCOCCNC(C)C
InChIInChI=1S/C12H25NO4/c1-11(2)13-4-5-15-6-7-16-8-9-17-10-12(3)14/h11,13H,4-10H2,1-3H3
InChIKeyKXTWVPVFDLABGX-UHFFFAOYSA-N
XLogP0.62
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one
CID 177155890
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 163495040
ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390665
4-[2-(propan-2-ylamino)ethoxy]butan-2-one
CID 147119973
2-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-N-[3-(propan-2-ylamino)propyl]acetamide
CID 146201925
2-[2-(propan-2-ylamino)ethoxy]ethyl acetate
CID 172574123
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390666
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;molecular hydrogen
CID 171106543
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 176981069
S-sulfanyl 2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanethioate
CID 167191582
ethane;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 155740359
2-methyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one?
The IUPAC name of 1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one (CID 138727906) is 1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one.
What is the SMILES notation for 1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one?
The canonical SMILES for 1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one is CC(=O)COCCOCCOCCNC(C)C.
What is the InChIKey of 1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one?
The InChIKey is KXTWVPVFDLABGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-11(2)13-4-5-15-6-7-16-8-9-17-10-12(3)14/h11,13H,4-10H2,1-3H3.
What are the key properties of 1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one?
1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one has a molecular weight of 247.33 g/mol, XLogP of 0.62, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one is sourced from PubChem (CID 138727906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).