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

C22H31NO4 — CID 11559801

IUPAC3-[3-(cyclohexylmethoxy)-4-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene
SMILESCC(C)Oc1ccc(C2=NOC3(CCOC3)C2)cc1OCC1CCCCC1
InChIInChI=1S/C22H31NO4/c1-16(2)26-20-9-8-18(19-13-22(27-23-19)10-11-24-15-22)12-21(20)25-14-17-6-4-3-5-7-17/h8-9,12,16-17H,3-7,10-11,13-15H2,1-2H3
InChIKeyGVRRUTVBIRBNHX-UHFFFAOYSA-N
MW373.49 g/mol
LogP4.72
Rot. Bonds6

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

3-[3-(cyclohexylmethoxy)-4-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene (PubChem CID 11559801) has the molecular formula C22H31NO4 and a molecular weight of 373.49 g/mol. Its IUPAC name is 3-[3-(cyclohexylmethoxy)-4-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene.

Molecular Properties

Compound Name3-[3-(cyclohexylmethoxy)-4-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene
PubChem CID11559801
Molecular FormulaC22H31NO4
Molecular Weight373.49 g/mol
Exact Mass373.23
IUPAC Name3-[3-(cyclohexylmethoxy)-4-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene
SMILESCC(C)Oc1ccc(C2=NOC3(CCOC3)C2)cc1OCC1CCCCC1
InChIInChI=1S/C22H31NO4/c1-16(2)26-20-9-8-18(19-13-22(27-23-19)10-11-24-15-22)12-21(20)25-14-17-6-4-3-5-7-17/h8-9,12,16-17H,3-7,10-11,13-15H2,1-2H3
InChIKeyGVRRUTVBIRBNHX-UHFFFAOYSA-N
XLogP4.72
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3-(cyclohexylmethoxy)-4-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclohexylmethoxy)-4-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene?
The IUPAC name of 3-[3-(cyclohexylmethoxy)-4-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene (CID 11559801) is 3-[3-(cyclohexylmethoxy)-4-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene.
What is the SMILES notation for 3-[3-(cyclohexylmethoxy)-4-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene?
The canonical SMILES for 3-[3-(cyclohexylmethoxy)-4-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene is CC(C)Oc1ccc(C2=NOC3(CCOC3)C2)cc1OCC1CCCCC1.
What is the InChIKey of 3-[3-(cyclohexylmethoxy)-4-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene?
The InChIKey is GVRRUTVBIRBNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO4/c1-16(2)26-20-9-8-18(19-13-22(27-23-19)10-11-24-15-22)12-21(20)25-14-17-6-4-3-5-7-17/h8-9,12,16-17H,3-7,10-11,13-15H2,1-2H3.
What are the key properties of 3-[3-(cyclohexylmethoxy)-4-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene?
3-[3-(cyclohexylmethoxy)-4-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene has a molecular weight of 373.49 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclohexylmethoxy)-4-propan-2-yloxyphenyl]-1,7-dioxa-2-azaspiro[4.4]non-2-ene is sourced from PubChem (CID 11559801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).