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

C16H19BrN2O3 — CID 17428005

IUPAC3-[(5-bromo-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(Br)cc1CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C16H19BrN2O3/c1-22-13-6-5-12(17)9-11(13)10-19-14(20)16(18-15(19)21)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,21)
InChIKeyXATSLPNKZWYWRC-UHFFFAOYSA-N
MW367.24 g/mol
LogP3.21
Rot. Bonds3

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

3-[(5-bromo-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 17428005) has the molecular formula C16H19BrN2O3 and a molecular weight of 367.24 g/mol. Its IUPAC name is 3-[(5-bromo-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(5-bromo-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID17428005
Molecular FormulaC16H19BrN2O3
Molecular Weight367.24 g/mol
Exact Mass366.06
IUPAC Name3-[(5-bromo-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCOc1ccc(Br)cc1CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C16H19BrN2O3/c1-22-13-6-5-12(17)9-11(13)10-19-14(20)16(18-15(19)21)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,21)
InChIKeyXATSLPNKZWYWRC-UHFFFAOYSA-N
XLogP3.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-2-methoxyphenyl)methyl-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-methylazanium
CID 2575587
3-[(4-bromo-2,5-dimethoxyphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 16605599
3-[(2,5-dimethoxyphenyl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9401459
1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-2,6-dione
CID 54970604
3-[(5-chloro-2-methoxyphenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 122133580
1-[(5-bromo-2-methoxyphenyl)methyl]-3,3-dimethylpiperazine-2,6-dione
CID 66069421
(5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 8572162
(5R)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 40811680
3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47094861
3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 100677498
5-(1-benzofuran-2-yl)-3-[(5-bromo-2-methoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 55442400
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(5-bromo-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 17428005) is 3-[(5-bromo-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(5-bromo-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(5-bromo-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is COc1ccc(Br)cc1CN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 3-[(5-bromo-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is XATSLPNKZWYWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3/c1-22-13-6-5-12(17)9-11(13)10-19-14(20)16(18-15(19)21)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,21).
What are the key properties of 3-[(5-bromo-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(5-bromo-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 367.24 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 17428005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).