7-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene

C17H24N2O2 — CID 134789757

IUPAC7-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene
SMILESCOc1ccc(CN2CCC3(CC(C(C)C)=NO3)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-13(2)16-10-17(21-18-16)8-9-19(12-17)11-14-4-6-15(20-3)7-5-14/h4-7,13H,8-12H2,1-3H3
InChIKeyYSCPZLRBZIZCEM-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.07
Rot. Bonds4

About 7-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene

7-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene (PubChem CID 134789757) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene
PubChem CID134789757
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name7-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene
SMILESCOc1ccc(CN2CCC3(CC(C(C)C)=NO3)C2)cc1
InChIInChI=1S/C17H24N2O2/c1-13(2)16-10-17(21-18-16)8-9-19(12-17)11-14-4-6-15(20-3)7-5-14/h4-7,13H,8-12H2,1-3H3
InChIKeyYSCPZLRBZIZCEM-UHFFFAOYSA-N
XLogP3.07
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[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 7-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The IUPAC name of 7-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene (CID 134789757) is 7-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene.
What is the SMILES notation for 7-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The canonical SMILES for 7-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene is COc1ccc(CN2CCC3(CC(C(C)C)=NO3)C2)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The InChIKey is YSCPZLRBZIZCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)16-10-17(21-18-16)8-9-19(12-17)11-14-4-6-15(20-3)7-5-14/h4-7,13H,8-12H2,1-3H3.
What are the key properties of 7-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
7-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene has a molecular weight of 288.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)methyl]-3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-ene is sourced from PubChem (CID 134789757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).