3-(3-cycloheptyloxy-4-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene

C24H33NO4 — CID 91294469

IUPAC3-(3-cycloheptyloxy-4-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene
SMILESC1=C(c2ccc(OC3CCCC3)c(OC3CCCCCC3)c2)NOC12CCOC2
InChIInChI=1S/C24H33NO4/c1-2-4-8-20(7-3-1)28-23-15-18(11-12-22(23)27-19-9-5-6-10-19)21-16-24(29-25-21)13-14-26-17-24/h11-12,15-16,19-20,25H,1-10,13-14,17H2
InChIKeyLHJANWSPOSTART-UHFFFAOYSA-N
MW399.53 g/mol
LogP5.14
Rot. Bonds5

About 3-(3-cycloheptyloxy-4-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene

3-(3-cycloheptyloxy-4-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene (PubChem CID 91294469) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol. Its IUPAC name is 3-(3-cycloheptyloxy-4-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene.

Molecular Properties

Compound Name3-(3-cycloheptyloxy-4-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene
PubChem CID91294469
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC Name3-(3-cycloheptyloxy-4-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene
SMILESC1=C(c2ccc(OC3CCCC3)c(OC3CCCCCC3)c2)NOC12CCOC2
InChIInChI=1S/C24H33NO4/c1-2-4-8-20(7-3-1)28-23-15-18(11-12-22(23)27-19-9-5-6-10-19)21-16-24(29-25-21)13-14-26-17-24/h11-12,15-16,19-20,25H,1-10,13-14,17H2
InChIKeyLHJANWSPOSTART-UHFFFAOYSA-N
XLogP5.14
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-cycloheptyloxy-4-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene with MolForge

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Related Compounds

3-[3-cycloheptyloxy-4-(difluoromethoxy)phenyl]-1,7-dioxa-2-azaspiro[4.4]non-3-ene
CID 91100905
3-(4-cycloheptyloxy-3-ethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene
CID 91156142
cyclopropyl-[4-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidin-1-yl]methanone
CID 91423051
tert-butyl 3-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]piperidine-1-carboxylate
CID 91517612
2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]ethanol
CID 91606803
1-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenyl]cyclohexane-1-carboxylic acid
CID 91516155
7-(3-cyclopentyloxy-4-methoxyphenyl)-5-oxa-6-azaspiro[3.5]non-7-ene
CID 91494855
[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-(oxolan-3-yl)methanone
CID 91536341
[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-3-en-7-yl]-cyclopropylmethanone
CID 91270856
1-[(2S)-2-[[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]methyl]pyrrolidin-1-yl]ethanone
CID 90970872
1-butyl-1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-3-en-8-yl]urea
CID 90922806
3-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-5-piperazin-1-yl-2H-1,2-oxazole
CID 91531973

Frequently Asked Questions

What is the IUPAC name of 3-(3-cycloheptyloxy-4-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene?
The IUPAC name of 3-(3-cycloheptyloxy-4-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene (CID 91294469) is 3-(3-cycloheptyloxy-4-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene.
What is the SMILES notation for 3-(3-cycloheptyloxy-4-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene?
The canonical SMILES for 3-(3-cycloheptyloxy-4-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene is C1=C(c2ccc(OC3CCCC3)c(OC3CCCCCC3)c2)NOC12CCOC2.
What is the InChIKey of 3-(3-cycloheptyloxy-4-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene?
The InChIKey is LHJANWSPOSTART-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO4/c1-2-4-8-20(7-3-1)28-23-15-18(11-12-22(23)27-19-9-5-6-10-19)21-16-24(29-25-21)13-14-26-17-24/h11-12,15-16,19-20,25H,1-10,13-14,17H2.
What are the key properties of 3-(3-cycloheptyloxy-4-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene?
3-(3-cycloheptyloxy-4-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene has a molecular weight of 399.53 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cycloheptyloxy-4-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene is sourced from PubChem (CID 91294469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).