3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one

C24H50N2O6 — CID 163495040

IUPAC3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
SMILESCC(C)NCCOCCOCC(=O)C(C)C.CC(C)NCCOCCOCC(=O)C(C)C
InChIInChI=1S/2C12H25NO3/c2*1-10(2)12(14)9-16-8-7-15-6-5-13-11(3)4/h2*10-11,13H,5-9H2,1-4H3
InChIKeyCPYMFQGIFPQEPP-UHFFFAOYSA-N
MW462.67 g/mol
LogP2.49
Rot. Bonds20

About 3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one

3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one (PubChem CID 163495040) has the molecular formula C24H50N2O6 and a molecular weight of 462.67 g/mol. Its IUPAC name is 3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one.

Molecular Properties

Compound Name3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
PubChem CID163495040
Molecular FormulaC24H50N2O6
Molecular Weight462.67 g/mol
Exact Mass462.37
IUPAC Name3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
SMILESCC(C)NCCOCCOCC(=O)C(C)C.CC(C)NCCOCCOCC(=O)C(C)C
InChIInChI=1S/2C12H25NO3/c2*1-10(2)12(14)9-16-8-7-15-6-5-13-11(3)4/h2*10-11,13H,5-9H2,1-4H3
InChIKeyCPYMFQGIFPQEPP-UHFFFAOYSA-N
XLogP2.49
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.67
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-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

3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one;molecular hydrogen
CID 171106543
4-methyl-1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]pentan-3-one
CID 135299160
1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 138727906
3-methyl-1-[(Z)-4-[2-(propan-2-ylamino)ethoxy]but-2-enoxy]butan-2-one
CID 126654801
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-2-one;molecular hydrogen
CID 142523138
3-methyl-1-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]pentan-2-one;molecular hydrogen
CID 167520128
3-ethylsulfanyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 146521568
molecular hydrogen;1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]propan-2-one
CID 177155890
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-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258
2-methyl-N-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727326
N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]-6-oxo-9-(propan-2-ylamino)nonanamide
CID 170116965

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one?
The IUPAC name of 3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one (CID 163495040) is 3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one.
What is the SMILES notation for 3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one?
The canonical SMILES for 3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one is CC(C)NCCOCCOCC(=O)C(C)C.CC(C)NCCOCCOCC(=O)C(C)C.
What is the InChIKey of 3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one?
The InChIKey is CPYMFQGIFPQEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H25NO3/c2*1-10(2)12(14)9-16-8-7-15-6-5-13-11(3)4/h2*10-11,13H,5-9H2,1-4H3.
What are the key properties of 3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one?
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one has a molecular weight of 462.67 g/mol, XLogP of 2.49, 20 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one is sourced from PubChem (CID 163495040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).