1-[1,3-bis[2-(2-propan-2-yloxyethoxy)ethoxy]propan-2-ylamino]-3-methylbutan-2-one

C22H45NO7 — CID 167420848

IUPAC1-[1,3-bis[2-(2-propan-2-yloxyethoxy)ethoxy]propan-2-ylamino]-3-methylbutan-2-one
SMILESCC(C)OCCOCCOCC(COCCOCCOC(C)C)NCC(=O)C(C)C
InChIInChI=1S/C22H45NO7/c1-18(2)22(24)15-23-21(16-27-9-7-25-11-13-29-19(3)4)17-28-10-8-26-12-14-30-20(5)6/h18-21,23H,7-17H2,1-6H3
InChIKeyMXACOORXACWZFG-UHFFFAOYSA-N
MW435.60 g/mol
LogP2.09
Rot. Bonds22

About 1-[1,3-bis[2-(2-propan-2-yloxyethoxy)ethoxy]propan-2-ylamino]-3-methylbutan-2-one

1-[1,3-bis[2-(2-propan-2-yloxyethoxy)ethoxy]propan-2-ylamino]-3-methylbutan-2-one (PubChem CID 167420848) has the molecular formula C22H45NO7 and a molecular weight of 435.60 g/mol. Its IUPAC name is 1-[1,3-bis[2-(2-propan-2-yloxyethoxy)ethoxy]propan-2-ylamino]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[1,3-bis[2-(2-propan-2-yloxyethoxy)ethoxy]propan-2-ylamino]-3-methylbutan-2-one
PubChem CID167420848
Molecular FormulaC22H45NO7
Molecular Weight435.60 g/mol
Exact Mass435.32
IUPAC Name1-[1,3-bis[2-(2-propan-2-yloxyethoxy)ethoxy]propan-2-ylamino]-3-methylbutan-2-one
SMILESCC(C)OCCOCCOCC(COCCOCCOC(C)C)NCC(=O)C(C)C
InChIInChI=1S/C22H45NO7/c1-18(2)22(24)15-23-21(16-27-9-7-25-11-13-29-19(3)4)17-28-10-8-26-12-14-30-20(5)6/h18-21,23H,7-17H2,1-6H3
InChIKeyMXACOORXACWZFG-UHFFFAOYSA-N
XLogP2.09
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[1,3-bis[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-ylamino]-3-methylbutan-2-one
CID 167420722
4-methyl-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one
CID 176650799
3-methyl-1-[2-(3-methyl-2-oxobutoxy)ethoxy]butan-2-one;2-(2-propan-2-yloxyethoxy)propane
CID 163475456
2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 87184275
2-methyl-7-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]-6-(methylsulfamoylamino)heptan-3-one
CID 170381769
N-ethyl-1-(2-propan-2-yloxyethoxy)pentan-2-amine
CID 62042339
1-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]propan-2-one
CID 170040791
3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid
CID 87458033
2-[2-(2-propan-2-yloxyethoxy)ethoxy]acetyl chloride
CID 71371862
N-[1,3-bis(4-methyl-3-oxopentoxy)propan-2-yl]-N-methyl-2-(2-propan-2-yloxyethoxy)acetamide
CID 167408503
2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 19893141
1-(2-methylpropoxy)-6-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]hexan-3-one
CID 161342010

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-bis[2-(2-propan-2-yloxyethoxy)ethoxy]propan-2-ylamino]-3-methylbutan-2-one?
The IUPAC name of 1-[1,3-bis[2-(2-propan-2-yloxyethoxy)ethoxy]propan-2-ylamino]-3-methylbutan-2-one (CID 167420848) is 1-[1,3-bis[2-(2-propan-2-yloxyethoxy)ethoxy]propan-2-ylamino]-3-methylbutan-2-one.
What is the SMILES notation for 1-[1,3-bis[2-(2-propan-2-yloxyethoxy)ethoxy]propan-2-ylamino]-3-methylbutan-2-one?
The canonical SMILES for 1-[1,3-bis[2-(2-propan-2-yloxyethoxy)ethoxy]propan-2-ylamino]-3-methylbutan-2-one is CC(C)OCCOCCOCC(COCCOCCOC(C)C)NCC(=O)C(C)C.
What is the InChIKey of 1-[1,3-bis[2-(2-propan-2-yloxyethoxy)ethoxy]propan-2-ylamino]-3-methylbutan-2-one?
The InChIKey is MXACOORXACWZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO7/c1-18(2)22(24)15-23-21(16-27-9-7-25-11-13-29-19(3)4)17-28-10-8-26-12-14-30-20(5)6/h18-21,23H,7-17H2,1-6H3.
What are the key properties of 1-[1,3-bis[2-(2-propan-2-yloxyethoxy)ethoxy]propan-2-ylamino]-3-methylbutan-2-one?
1-[1,3-bis[2-(2-propan-2-yloxyethoxy)ethoxy]propan-2-ylamino]-3-methylbutan-2-one has a molecular weight of 435.60 g/mol, XLogP of 2.09, 22 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-bis[2-(2-propan-2-yloxyethoxy)ethoxy]propan-2-ylamino]-3-methylbutan-2-one is sourced from PubChem (CID 167420848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).