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

C21H29NO4 — CID 91156142

IUPAC3-(4-cycloheptyloxy-3-ethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene
SMILESCCOc1cc(C2=CC3(CCOC3)ON2)ccc1OC1CCCCCC1
InChIInChI=1S/C21H29NO4/c1-2-24-20-13-16(18-14-21(26-22-18)11-12-23-15-21)9-10-19(20)25-17-7-5-3-4-6-8-17/h9-10,13-14,17,22H,2-8,11-12,15H2,1H3
InChIKeyGLXHLMUIZDFDJQ-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.22
Rot. Bonds5

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

3-(4-cycloheptyloxy-3-ethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene (PubChem CID 91156142) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-(4-cycloheptyloxy-3-ethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene.

Molecular Properties

Compound Name3-(4-cycloheptyloxy-3-ethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene
PubChem CID91156142
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC Name3-(4-cycloheptyloxy-3-ethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene
SMILESCCOc1cc(C2=CC3(CCOC3)ON2)ccc1OC1CCCCCC1
InChIInChI=1S/C21H29NO4/c1-2-24-20-13-16(18-14-21(26-22-18)11-12-23-15-21)9-10-19(20)25-17-7-5-3-4-6-8-17/h9-10,13-14,17,22H,2-8,11-12,15H2,1H3
InChIKeyGLXHLMUIZDFDJQ-UHFFFAOYSA-N
XLogP4.22
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-cycloheptyloxy-4-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene
CID 91294469
3-[3-cycloheptyloxy-4-(difluoromethoxy)phenyl]-1,7-dioxa-2-azaspiro[4.4]non-3-ene
CID 91100905
2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenoxy]ethanol
CID 91606803
ethyl 2-[5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)-2-(2,2,2-trifluoroethoxy)phenoxy]acetate
CID 91467035
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
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
[5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)-2-(2,2,2-trifluoroethoxy)phenyl] butanoate
CID 90814873
1-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-3-en-3-yl)phenyl]cyclohexane-1-carboxylic acid
CID 91516155
1-butyl-1-[3-(3-cyclopentyloxy-4-methoxyphenyl)-1-oxa-2-azaspiro[4.5]dec-3-en-8-yl]urea
CID 90922806
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-cycloheptyloxy-3-ethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene?
The IUPAC name of 3-(4-cycloheptyloxy-3-ethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene (CID 91156142) is 3-(4-cycloheptyloxy-3-ethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene.
What is the SMILES notation for 3-(4-cycloheptyloxy-3-ethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene?
The canonical SMILES for 3-(4-cycloheptyloxy-3-ethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene is CCOc1cc(C2=CC3(CCOC3)ON2)ccc1OC1CCCCCC1.
What is the InChIKey of 3-(4-cycloheptyloxy-3-ethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene?
The InChIKey is GLXHLMUIZDFDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4/c1-2-24-20-13-16(18-14-21(26-22-18)11-12-23-15-21)9-10-19(20)25-17-7-5-3-4-6-8-17/h9-10,13-14,17,22H,2-8,11-12,15H2,1H3.
What are the key properties of 3-(4-cycloheptyloxy-3-ethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene?
3-(4-cycloheptyloxy-3-ethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene has a molecular weight of 359.47 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cycloheptyloxy-3-ethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-3-ene is sourced from PubChem (CID 91156142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).