8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride

C26H33ClN2O3 — CID 19887487

IUPAC8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCCCN1C(=O)OC2(CCN(CC=C(c3ccccc3)c3ccccc3)CC2)C1(C)O.Cl
InChIInChI=1S/C26H32N2O3.ClH/c1-3-17-28-24(29)31-26(25(28,2)30)15-19-27(20-16-26)18-14-23(21-10-6-4-7-11-21)22-12-8-5-9-13-22;/h4-14,30H,3,15-20H2,1-2H3;1H
InChIKeyIYJLHDLEWLDTSM-UHFFFAOYSA-N
MW457.01 g/mol
LogP4.95
Rot. Bonds6

About 8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride

8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (PubChem CID 19887487) has the molecular formula C26H33ClN2O3 and a molecular weight of 457.01 g/mol. Its IUPAC name is 8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.

Molecular Properties

Compound Name8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
PubChem CID19887487
Molecular FormulaC26H33ClN2O3
Molecular Weight457.01 g/mol
Exact Mass456.22
IUPAC Name8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCCCN1C(=O)OC2(CCN(CC=C(c3ccccc3)c3ccccc3)CC2)C1(C)O.Cl
InChIInChI=1S/C26H32N2O3.ClH/c1-3-17-28-24(29)31-26(25(28,2)30)15-19-27(20-16-26)18-14-23(21-10-6-4-7-11-21)22-12-8-5-9-13-22;/h4-14,30H,3,15-20H2,1-2H3;1H
InChIKeyIYJLHDLEWLDTSM-UHFFFAOYSA-N
XLogP4.95
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.01
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride 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 8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The IUPAC name of 8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (CID 19887487) is 8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.
What is the SMILES notation for 8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The canonical SMILES for 8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride is CCCN1C(=O)OC2(CCN(CC=C(c3ccccc3)c3ccccc3)CC2)C1(C)O.Cl.
What is the InChIKey of 8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The InChIKey is IYJLHDLEWLDTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3.ClH/c1-3-17-28-24(29)31-26(25(28,2)30)15-19-27(20-16-26)18-14-23(21-10-6-4-7-11-21)22-12-8-5-9-13-22;/h4-14,30H,3,15-20H2,1-2H3;1H.
What are the key properties of 8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride has a molecular weight of 457.01 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride is sourced from PubChem (CID 19887487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).