1-(4-cyclobutyloxyphenoxy)-N-ethoxypropan-2-imine

C15H21NO3 — CID 54018797

IUPAC1-(4-cyclobutyloxyphenoxy)-N-ethoxypropan-2-imine
SMILESCCON=C(C)COc1ccc(OC2CCC2)cc1
InChIInChI=1S/C15H21NO3/c1-3-18-16-12(2)11-17-13-7-9-15(10-8-13)19-14-5-4-6-14/h7-10,14H,3-6,11H2,1-2H3
InChIKeyKXLXIUKPUMGSPN-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.41
Rot. Bonds7

About 1-(4-cyclobutyloxyphenoxy)-N-ethoxypropan-2-imine

1-(4-cyclobutyloxyphenoxy)-N-ethoxypropan-2-imine (PubChem CID 54018797) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(4-cyclobutyloxyphenoxy)-N-ethoxypropan-2-imine.

Molecular Properties

Compound Name1-(4-cyclobutyloxyphenoxy)-N-ethoxypropan-2-imine
PubChem CID54018797
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(4-cyclobutyloxyphenoxy)-N-ethoxypropan-2-imine
SMILESCCON=C(C)COc1ccc(OC2CCC2)cc1
InChIInChI=1S/C15H21NO3/c1-3-18-16-12(2)11-17-13-7-9-15(10-8-13)19-14-5-4-6-14/h7-10,14H,3-6,11H2,1-2H3
InChIKeyKXLXIUKPUMGSPN-UHFFFAOYSA-N
XLogP3.41
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502
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CID 43093796
N-(4-cyclopentyloxyphenyl)-4-ethoxybenzamide
CID 36565370
4-(4-propoxyphenoxy)azepane
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1-cyclopentyloxy-4-propan-2-ylbenzene
CID 10442918
1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583
4-cycloheptyloxyphenol
CID 67178425
[4-[4-[4-(hydroxymethyl)phenoxy]cyclohexyl]oxyphenyl]methanol
CID 118229832
2-(4-ethoxyphenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255770
4-cyclobutyloxy-2-ethoxyaniline
CID 63677607
1-(4-cyclobutyloxyphenyl)propan-2-ol
CID 117295049

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutyloxyphenoxy)-N-ethoxypropan-2-imine?
The IUPAC name of 1-(4-cyclobutyloxyphenoxy)-N-ethoxypropan-2-imine (CID 54018797) is 1-(4-cyclobutyloxyphenoxy)-N-ethoxypropan-2-imine.
What is the SMILES notation for 1-(4-cyclobutyloxyphenoxy)-N-ethoxypropan-2-imine?
The canonical SMILES for 1-(4-cyclobutyloxyphenoxy)-N-ethoxypropan-2-imine is CCON=C(C)COc1ccc(OC2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutyloxyphenoxy)-N-ethoxypropan-2-imine?
The InChIKey is KXLXIUKPUMGSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-18-16-12(2)11-17-13-7-9-15(10-8-13)19-14-5-4-6-14/h7-10,14H,3-6,11H2,1-2H3.
What are the key properties of 1-(4-cyclobutyloxyphenoxy)-N-ethoxypropan-2-imine?
1-(4-cyclobutyloxyphenoxy)-N-ethoxypropan-2-imine has a molecular weight of 263.34 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutyloxyphenoxy)-N-ethoxypropan-2-imine is sourced from PubChem (CID 54018797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).