3-[(5-chloro-2-methoxyphenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

C15H17ClN2O4 — CID 122133580

IUPAC3-[(5-chloro-2-methoxyphenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(Cl)cc1CN1C(=O)NC2(CCOCC2)C1=O
InChIInChI=1S/C15H17ClN2O4/c1-21-12-3-2-11(16)8-10(12)9-18-13(19)15(17-14(18)20)4-6-22-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,17,20)
InChIKeyBVOKZCDSVTVCSZ-UHFFFAOYSA-N
MW324.76 g/mol
LogP1.95
Rot. Bonds3

About 3-[(5-chloro-2-methoxyphenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(5-chloro-2-methoxyphenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 122133580) has the molecular formula C15H17ClN2O4 and a molecular weight of 324.76 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID122133580
Molecular FormulaC15H17ClN2O4
Molecular Weight324.76 g/mol
Exact Mass324.09
IUPAC Name3-[(5-chloro-2-methoxyphenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(Cl)cc1CN1C(=O)NC2(CCOCC2)C1=O
InChIInChI=1S/C15H17ClN2O4/c1-21-12-3-2-11(16)8-10(12)9-18-13(19)15(17-14(18)20)4-6-22-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,17,20)
InChIKeyBVOKZCDSVTVCSZ-UHFFFAOYSA-N
XLogP1.95
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-[(5-chloro-2-methoxyphenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

3'-[(5-chloro-2-methoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 17411522
3-[(5-bromo-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17428005
3-[(2,5-dimethoxyphenyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9401459
3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9332388
N-(3,4-dimethoxyphenyl)-4-[(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzamide
CID 91908465
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
3-amino-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 82160149
3-[(4-bromo-2,5-dimethoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 16605599
3-ethyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 78924545
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 91891702
3'-[(2,5-dimethoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 17405515

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (CID 122133580) is 3-[(5-chloro-2-methoxyphenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is COc1ccc(Cl)cc1CN1C(=O)NC2(CCOCC2)C1=O.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is BVOKZCDSVTVCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4/c1-21-12-3-2-11(16)8-10(12)9-18-13(19)15(17-14(18)20)4-6-22-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,17,20).
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(5-chloro-2-methoxyphenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 324.76 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 122133580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).