1-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone

C20H31N3O7 — CID 167050498

IUPAC1-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C20H31N3O7/c1-18(24)19-4-2-3-5-20(19)30-17-16-29-15-14-28-13-12-27-11-10-26-9-8-25-7-6-22-23-21/h2-5H,6-17H2,1H3
InChIKeyYAYGOJBEZAZBAP-UHFFFAOYSA-N
MW425.48 g/mol
LogP2.66
Rot. Bonds20

About 1-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone

1-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone (PubChem CID 167050498) has the molecular formula C20H31N3O7 and a molecular weight of 425.48 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone
PubChem CID167050498
Molecular FormulaC20H31N3O7
Molecular Weight425.48 g/mol
Exact Mass425.22
IUPAC Name1-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChIInChI=1S/C20H31N3O7/c1-18(24)19-4-2-3-5-20(19)30-17-16-29-15-14-28-13-12-27-11-10-26-9-8-25-7-6-22-23-21/h2-5H,6-17H2,1H3
InChIKeyYAYGOJBEZAZBAP-UHFFFAOYSA-N
XLogP2.66
TPSA121.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
CID 43793701
1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone
CID 115942350
1-[2-(2-hexoxyethoxy)phenyl]ethanone
CID 43793758
2-(3-azidopropoxy)benzamide
CID 61396560
1-[2-(2-pent-4-enoxyethoxy)phenyl]ethanone
CID 79112812
1-[2-(2-iodoethoxy)phenyl]ethanone
CID 64788575
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
2-[2-[2-(2-carbonochloridoylphenoxy)ethoxy]ethoxy]benzoyl chloride
CID 10981850
1-[2-[2-(2,6-dibromophenoxy)ethoxy]phenyl]ethanone
CID 63565850
1-[2-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]ethanone
CID 60628001
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-4-methylbenzenesulfonamide
CID 2748883

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone (CID 167050498) is 1-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone is CC(=O)c1ccccc1OCCOCCOCCOCCOCCOCCN=[N+]=[N-].
What is the InChIKey of 1-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone?
The InChIKey is YAYGOJBEZAZBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O7/c1-18(24)19-4-2-3-5-20(19)30-17-16-29-15-14-28-13-12-27-11-10-26-9-8-25-7-6-22-23-21/h2-5H,6-17H2,1H3.
What are the key properties of 1-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone?
1-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone has a molecular weight of 425.48 g/mol, XLogP of 2.66, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone is sourced from PubChem (CID 167050498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).