4-[2-[2-[2-[2-[(3-acetylphenyl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one

C21H33NO6 — CID 159683878

IUPAC4-[2-[2-[2-[2-[(3-acetylphenyl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
SMILESCC(=O)CCOCCOCCOCCOCCNCc1cccc(C(C)=O)c1
InChIInChI=1S/C21H33NO6/c1-18(23)6-8-25-10-12-27-14-15-28-13-11-26-9-7-22-17-20-4-3-5-21(16-20)19(2)24/h3-5,16,22H,6-15,17H2,1-2H3
InChIKeyMVNUHEKVXYAYAQ-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.02
Rot. Bonds18

About 4-[2-[2-[2-[2-[(3-acetylphenyl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one

4-[2-[2-[2-[2-[(3-acetylphenyl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one (PubChem CID 159683878) has the molecular formula C21H33NO6 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-[2-[2-[2-[2-[(3-acetylphenyl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one.

Molecular Properties

Compound Name4-[2-[2-[2-[2-[(3-acetylphenyl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
PubChem CID159683878
Molecular FormulaC21H33NO6
Molecular Weight395.50 g/mol
Exact Mass395.23
IUPAC Name4-[2-[2-[2-[2-[(3-acetylphenyl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
SMILESCC(=O)CCOCCOCCOCCOCCNCc1cccc(C(C)=O)c1
InChIInChI=1S/C21H33NO6/c1-18(23)6-8-25-10-12-27-14-15-28-13-11-26-9-7-22-17-20-4-3-5-21(16-20)19(2)24/h3-5,16,22H,6-15,17H2,1-2H3
InChIKeyMVNUHEKVXYAYAQ-UHFFFAOYSA-N
XLogP2.02
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-[2-[(3-acetylphenyl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one?
The IUPAC name of 4-[2-[2-[2-[2-[(3-acetylphenyl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one (CID 159683878) is 4-[2-[2-[2-[2-[(3-acetylphenyl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one.
What is the SMILES notation for 4-[2-[2-[2-[2-[(3-acetylphenyl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one?
The canonical SMILES for 4-[2-[2-[2-[2-[(3-acetylphenyl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one is CC(=O)CCOCCOCCOCCOCCNCc1cccc(C(C)=O)c1.
What is the InChIKey of 4-[2-[2-[2-[2-[(3-acetylphenyl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one?
The InChIKey is MVNUHEKVXYAYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO6/c1-18(23)6-8-25-10-12-27-14-15-28-13-11-26-9-7-22-17-20-4-3-5-21(16-20)19(2)24/h3-5,16,22H,6-15,17H2,1-2H3.
What are the key properties of 4-[2-[2-[2-[2-[(3-acetylphenyl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one?
4-[2-[2-[2-[2-[(3-acetylphenyl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one has a molecular weight of 395.50 g/mol, XLogP of 2.02, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-[2-[(3-acetylphenyl)methylamino]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one is sourced from PubChem (CID 159683878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).