2-[4-(4-methoxyphenyl)-1,5-diazaspiro[5.5]undec-4-en-2-yl]phenol

C22H26N2O2 — CID 20970454

IUPAC2-[4-(4-methoxyphenyl)-1,5-diazaspiro[5.5]undec-4-en-2-yl]phenol
SMILESCOc1ccc(C2=NC3(CCCCC3)NC(c3ccccc3O)C2)cc1
InChIInChI=1S/C22H26N2O2/c1-26-17-11-9-16(10-12-17)19-15-20(18-7-3-4-8-21(18)25)24-22(23-19)13-5-2-6-14-22/h3-4,7-12,20,24-25H,2,5-6,13-15H2,1H3
InChIKeyAEOYQZNHYLGBJP-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.58
Rot. Bonds3

About 2-[4-(4-methoxyphenyl)-1,5-diazaspiro[5.5]undec-4-en-2-yl]phenol

2-[4-(4-methoxyphenyl)-1,5-diazaspiro[5.5]undec-4-en-2-yl]phenol (PubChem CID 20970454) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-1,5-diazaspiro[5.5]undec-4-en-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)-1,5-diazaspiro[5.5]undec-4-en-2-yl]phenol
PubChem CID20970454
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-[4-(4-methoxyphenyl)-1,5-diazaspiro[5.5]undec-4-en-2-yl]phenol
SMILESCOc1ccc(C2=NC3(CCCCC3)NC(c3ccccc3O)C2)cc1
InChIInChI=1S/C22H26N2O2/c1-26-17-11-9-16(10-12-17)19-15-20(18-7-3-4-8-21(18)25)24-22(23-19)13-5-2-6-14-22/h3-4,7-12,20,24-25H,2,5-6,13-15H2,1H3
InChIKeyAEOYQZNHYLGBJP-UHFFFAOYSA-N
XLogP4.58
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)-1,5-diazaspiro[5.5]undec-4-en-2-yl]phenol?
The IUPAC name of 2-[4-(4-methoxyphenyl)-1,5-diazaspiro[5.5]undec-4-en-2-yl]phenol (CID 20970454) is 2-[4-(4-methoxyphenyl)-1,5-diazaspiro[5.5]undec-4-en-2-yl]phenol.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)-1,5-diazaspiro[5.5]undec-4-en-2-yl]phenol?
The canonical SMILES for 2-[4-(4-methoxyphenyl)-1,5-diazaspiro[5.5]undec-4-en-2-yl]phenol is COc1ccc(C2=NC3(CCCCC3)NC(c3ccccc3O)C2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)-1,5-diazaspiro[5.5]undec-4-en-2-yl]phenol?
The InChIKey is AEOYQZNHYLGBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-26-17-11-9-16(10-12-17)19-15-20(18-7-3-4-8-21(18)25)24-22(23-19)13-5-2-6-14-22/h3-4,7-12,20,24-25H,2,5-6,13-15H2,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)-1,5-diazaspiro[5.5]undec-4-en-2-yl]phenol?
2-[4-(4-methoxyphenyl)-1,5-diazaspiro[5.5]undec-4-en-2-yl]phenol has a molecular weight of 350.46 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)-1,5-diazaspiro[5.5]undec-4-en-2-yl]phenol is sourced from PubChem (CID 20970454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).