1-[3,4,5-tris[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]phenyl]ethanone

C32H59N3O10 — CID 58858900

IUPAC1-[3,4,5-tris[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]phenyl]ethanone
SMILESCC(=O)c1cc(OCCOCCOCCN(C)C)c(OCCOCCOCCN(C)C)c(OCCOCCOCCN(C)C)c1
InChIInChI=1S/C32H59N3O10/c1-28(36)29-26-30(43-23-20-40-17-14-37-11-8-33(2)3)32(45-25-22-42-19-16-39-13-10-35(6)7)31(27-29)44-24-21-41-18-15-38-12-9-34(4)5/h26-27H,8-25H2,1-7H3
InChIKeyIVGCJWYQJMZDOW-UHFFFAOYSA-N
MW645.84 g/mol
LogP1.81
Rot. Bonds31

About 1-[3,4,5-tris[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]phenyl]ethanone

1-[3,4,5-tris[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]phenyl]ethanone (PubChem CID 58858900) has the molecular formula C32H59N3O10 and a molecular weight of 645.84 g/mol. Its IUPAC name is 1-[3,4,5-tris[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3,4,5-tris[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]phenyl]ethanone
PubChem CID58858900
Molecular FormulaC32H59N3O10
Molecular Weight645.84 g/mol
Exact Mass645.42
IUPAC Name1-[3,4,5-tris[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]phenyl]ethanone
SMILESCC(=O)c1cc(OCCOCCOCCN(C)C)c(OCCOCCOCCN(C)C)c(OCCOCCOCCN(C)C)c1
InChIInChI=1S/C32H59N3O10/c1-28(36)29-26-30(43-23-20-40-17-14-37-11-8-33(2)3)32(45-25-22-42-19-16-39-13-10-35(6)7)31(27-29)44-24-21-41-18-15-38-12-9-34(4)5/h26-27H,8-25H2,1-7H3
InChIKeyIVGCJWYQJMZDOW-UHFFFAOYSA-N
XLogP1.81
TPSA109.86 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds31
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.84
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

1-[3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
CID 143391101
1-(3,4,5-triheptoxyphenyl)ethanone
CID 23127598
1-[3-acetyl-5-[2-[2-[2-(3,5-diacetylphenoxy)ethoxy]ethoxy]ethoxy]phenyl]ethanone
CID 176917432
5-chloro-2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoic acid
CID 67057095
1-[3,4,5-tris(hex-5-ynoxy)phenyl]ethanone
CID 166834577
2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine
CID 2181239
N-[2-(dimethylamino)ethyl]-3,4,5-tridodecoxybenzamide
CID 102351559
methyl 2-[2-[2-(dimethylamino)ethoxy]ethoxy]benzoate;oxalic acid
CID 2936166
methyl 3,5-bis[[3,4,5-tris[2-(2-methoxyethoxy)ethoxy]phenyl]methoxy]-4-[[3,4,5-tris[[3,4,5-tris[2-(2-methoxyethoxy)ethoxy]phenyl]methoxy]phenyl]methoxy]benzoate
CID 102291539
2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]-N,N-dimethylethanamine
CID 2181881
4-[2-(dimethylamino)ethoxy]-3,5-dimethylbenzoic acid
CID 28933005
2-[2-[2-(dimethylamino)ethoxy]ethoxy]-N,N-dimethylethanamine;ethane
CID 168987783

Frequently Asked Questions

What is the IUPAC name of 1-[3,4,5-tris[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[3,4,5-tris[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]phenyl]ethanone (CID 58858900) is 1-[3,4,5-tris[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3,4,5-tris[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[3,4,5-tris[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]phenyl]ethanone is CC(=O)c1cc(OCCOCCOCCN(C)C)c(OCCOCCOCCN(C)C)c(OCCOCCOCCN(C)C)c1.
What is the InChIKey of 1-[3,4,5-tris[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]phenyl]ethanone?
The InChIKey is IVGCJWYQJMZDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H59N3O10/c1-28(36)29-26-30(43-23-20-40-17-14-37-11-8-33(2)3)32(45-25-22-42-19-16-39-13-10-35(6)7)31(27-29)44-24-21-41-18-15-38-12-9-34(4)5/h26-27H,8-25H2,1-7H3.
What are the key properties of 1-[3,4,5-tris[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]phenyl]ethanone?
1-[3,4,5-tris[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]phenyl]ethanone has a molecular weight of 645.84 g/mol, XLogP of 1.81, 31 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4,5-tris[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]phenyl]ethanone is sourced from PubChem (CID 58858900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).