1-[3-methyl-1-[3-methyl-1-[2-(methylamino)ethoxy]pentan-3-yl]oxypentan-3-yl]oxypropan-2-one

C18H37NO4 — CID 123506610

IUPAC1-[3-methyl-1-[3-methyl-1-[2-(methylamino)ethoxy]pentan-3-yl]oxypentan-3-yl]oxypropan-2-one
SMILESCCC(C)(CCOCCNC)OCCC(C)(CC)OCC(C)=O
InChIInChI=1S/C18H37NO4/c1-7-17(4,9-12-21-14-11-19-6)22-13-10-18(5,8-2)23-15-16(3)20/h19H,7-15H2,1-6H3
InChIKeyLDDUIZDPTDJVKC-UHFFFAOYSA-N
MW331.50 g/mol
LogP2.96
Rot. Bonds15

About 1-[3-methyl-1-[3-methyl-1-[2-(methylamino)ethoxy]pentan-3-yl]oxypentan-3-yl]oxypropan-2-one

1-[3-methyl-1-[3-methyl-1-[2-(methylamino)ethoxy]pentan-3-yl]oxypentan-3-yl]oxypropan-2-one (PubChem CID 123506610) has the molecular formula C18H37NO4 and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-[3-methyl-1-[3-methyl-1-[2-(methylamino)ethoxy]pentan-3-yl]oxypentan-3-yl]oxypropan-2-one.

Molecular Properties

Compound Name1-[3-methyl-1-[3-methyl-1-[2-(methylamino)ethoxy]pentan-3-yl]oxypentan-3-yl]oxypropan-2-one
PubChem CID123506610
Molecular FormulaC18H37NO4
Molecular Weight331.50 g/mol
Exact Mass331.27
IUPAC Name1-[3-methyl-1-[3-methyl-1-[2-(methylamino)ethoxy]pentan-3-yl]oxypentan-3-yl]oxypropan-2-one
SMILESCCC(C)(CCOCCNC)OCCC(C)(CC)OCC(C)=O
InChIInChI=1S/C18H37NO4/c1-7-17(4,9-12-21-14-11-19-6)22-13-10-18(5,8-2)23-15-16(3)20/h19H,7-15H2,1-6H3
InChIKeyLDDUIZDPTDJVKC-UHFFFAOYSA-N
XLogP2.96
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 155740359
4-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 90086925
4-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 170145054
4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one
CID 59450621
4-[3-methyl-3-[2-[2-methyl-4-(methylamino)butan-2-yl]oxyethoxy]butoxy]butan-2-one
CID 88565171
methyl 2,2-dimethyl-3-[2-(methylamino)ethoxy]propanoate
CID 106939453
2-[2-(methylamino)ethoxy]-N-(2-methylbutan-2-yl)acetamide
CID 62338179
2-[2-[2-(methylamino)ethoxy]ethoxy]-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]acetamide
CID 59533808
1-[4-[1-(methoxyamino)-3-methylpentan-3-yl]oxy-2-methylbutan-2-yl]oxybutan-2-one
CID 170278209
3-ethyl-3-methyl-5-[2-methyl-4-(methylamino)butan-2-yl]oxypentan-2-one
CID 142391928
N-[2,3-dimethyl-3-[2-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]ethoxy]butyl]acetamide
CID 170218773
1-[2-(3,3-dimethylbutoxy)ethoxy]propan-2-one
CID 157295783

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-1-[3-methyl-1-[2-(methylamino)ethoxy]pentan-3-yl]oxypentan-3-yl]oxypropan-2-one?
The IUPAC name of 1-[3-methyl-1-[3-methyl-1-[2-(methylamino)ethoxy]pentan-3-yl]oxypentan-3-yl]oxypropan-2-one (CID 123506610) is 1-[3-methyl-1-[3-methyl-1-[2-(methylamino)ethoxy]pentan-3-yl]oxypentan-3-yl]oxypropan-2-one.
What is the SMILES notation for 1-[3-methyl-1-[3-methyl-1-[2-(methylamino)ethoxy]pentan-3-yl]oxypentan-3-yl]oxypropan-2-one?
The canonical SMILES for 1-[3-methyl-1-[3-methyl-1-[2-(methylamino)ethoxy]pentan-3-yl]oxypentan-3-yl]oxypropan-2-one is CCC(C)(CCOCCNC)OCCC(C)(CC)OCC(C)=O.
What is the InChIKey of 1-[3-methyl-1-[3-methyl-1-[2-(methylamino)ethoxy]pentan-3-yl]oxypentan-3-yl]oxypropan-2-one?
The InChIKey is LDDUIZDPTDJVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO4/c1-7-17(4,9-12-21-14-11-19-6)22-13-10-18(5,8-2)23-15-16(3)20/h19H,7-15H2,1-6H3.
What are the key properties of 1-[3-methyl-1-[3-methyl-1-[2-(methylamino)ethoxy]pentan-3-yl]oxypentan-3-yl]oxypropan-2-one?
1-[3-methyl-1-[3-methyl-1-[2-(methylamino)ethoxy]pentan-3-yl]oxypentan-3-yl]oxypropan-2-one has a molecular weight of 331.50 g/mol, XLogP of 2.96, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-1-[3-methyl-1-[2-(methylamino)ethoxy]pentan-3-yl]oxypentan-3-yl]oxypropan-2-one is sourced from PubChem (CID 123506610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).