3-(4-propan-2-yloxy-3-propoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene

C18H25NO4 — CID 57434208

IUPAC3-(4-propan-2-yloxy-3-propoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene
SMILESCCCOc1cc(C2=NOC3(CCOC3)C2)ccc1OC(C)C
InChIInChI=1S/C18H25NO4/c1-4-8-21-17-10-14(5-6-16(17)22-13(2)3)15-11-18(23-19-15)7-9-20-12-18/h5-6,10,13H,4,7-9,11-12H2,1-3H3
InChIKeyGJKSBPRVPBZCJC-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.55
Rot. Bonds6

About 3-(4-propan-2-yloxy-3-propoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene

3-(4-propan-2-yloxy-3-propoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene (PubChem CID 57434208) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-(4-propan-2-yloxy-3-propoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene.

Molecular Properties

Compound Name3-(4-propan-2-yloxy-3-propoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene
PubChem CID57434208
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name3-(4-propan-2-yloxy-3-propoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene
SMILESCCCOc1cc(C2=NOC3(CCOC3)C2)ccc1OC(C)C
InChIInChI=1S/C18H25NO4/c1-4-8-21-17-10-14(5-6-16(17)22-13(2)3)15-11-18(23-19-15)7-9-20-12-18/h5-6,10,13H,4,7-9,11-12H2,1-3H3
InChIKeyGJKSBPRVPBZCJC-UHFFFAOYSA-N
XLogP3.55
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-3-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene
CID 25010290
3-[3-(cyclohexylmethoxy)-4-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene
CID 11559801
3-(4-butoxy-3-cyclopentyloxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene
CID 11631842
2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]propanamide
CID 142781940
2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]-N-methylacetamide
CID 25009375
2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]butanoic acid
CID 66842306
3-[2-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]ethyl]benzonitrile
CID 66842609
2-(difluoromethoxy)-5-[(5S)-1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl]phenol
CID 25008564
3-(3,4-dimethoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;ethyl propanoate
CID 90844099
1-[3-[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]piperidin-1-yl]propan-1-one
CID 25008010
3-(4-methoxy-3-phenoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene;tritiomethane
CID 123855223
tert-butyl (2S)-2-[[2-(difluoromethoxy)-5-(1,7-dioxa-2-azaspiro[4.4]non-2-en-3-yl)phenoxy]methyl]pyrrolidine-1-carboxylate
CID 25010286

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-yloxy-3-propoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene?
The IUPAC name of 3-(4-propan-2-yloxy-3-propoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene (CID 57434208) is 3-(4-propan-2-yloxy-3-propoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene.
What is the SMILES notation for 3-(4-propan-2-yloxy-3-propoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene?
The canonical SMILES for 3-(4-propan-2-yloxy-3-propoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene is CCCOc1cc(C2=NOC3(CCOC3)C2)ccc1OC(C)C.
What is the InChIKey of 3-(4-propan-2-yloxy-3-propoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene?
The InChIKey is GJKSBPRVPBZCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-4-8-21-17-10-14(5-6-16(17)22-13(2)3)15-11-18(23-19-15)7-9-20-12-18/h5-6,10,13H,4,7-9,11-12H2,1-3H3.
What are the key properties of 3-(4-propan-2-yloxy-3-propoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene?
3-(4-propan-2-yloxy-3-propoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene has a molecular weight of 319.40 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-yloxy-3-propoxyphenyl)-1,7-dioxa-2-azaspiro[4.4]non-2-ene is sourced from PubChem (CID 57434208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).