3-[(2-amino-6-bromophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

C14H16BrN3O3 — CID 106528049

IUPAC3-[(2-amino-6-bromophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESNc1cccc(Br)c1CN1C(=O)NC2(CCOCC2)C1=O
InChIInChI=1S/C14H16BrN3O3/c15-10-2-1-3-11(16)9(10)8-18-12(19)14(17-13(18)20)4-6-21-7-5-14/h1-3H,4-8,16H2,(H,17,20)
InChIKeyPDGIHOFSPWUMJG-UHFFFAOYSA-N
MW354.20 g/mol
LogP1.63
Rot. Bonds2

About 3-[(2-amino-6-bromophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(2-amino-6-bromophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 106528049) has the molecular formula C14H16BrN3O3 and a molecular weight of 354.20 g/mol. Its IUPAC name is 3-[(2-amino-6-bromophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(2-amino-6-bromophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID106528049
Molecular FormulaC14H16BrN3O3
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC Name3-[(2-amino-6-bromophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESNc1cccc(Br)c1CN1C(=O)NC2(CCOCC2)C1=O
InChIInChI=1S/C14H16BrN3O3/c15-10-2-1-3-11(16)9(10)8-18-12(19)14(17-13(18)20)4-6-21-7-5-14/h1-3H,4-8,16H2,(H,17,20)
InChIKeyPDGIHOFSPWUMJG-UHFFFAOYSA-N
XLogP1.63
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(2-amino-6-bromophenyl)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-[(2-amino-6-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43349700
3-[(2-amino-6-bromophenyl)methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835073
3-ethyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 78924545
3-[(3-bromo-5-fluorophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 103729099
2-[(2-amino-6-bromophenyl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512369
3-[(3-amino-2-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43509213
1-[(2-amino-6-bromophenyl)methyl]-3H-indol-2-one
CID 43349697
3-[[2-(methylamino)-3-pyridinyl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528257
3-butyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 78924546
3-(3-sulfanylpropyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528289
3-[2-(aminomethyl)prop-2-enyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528236
3-(3,3-dimethylbutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 86804220

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-6-bromophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(2-amino-6-bromophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (CID 106528049) is 3-[(2-amino-6-bromophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(2-amino-6-bromophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(2-amino-6-bromophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is Nc1cccc(Br)c1CN1C(=O)NC2(CCOCC2)C1=O.
What is the InChIKey of 3-[(2-amino-6-bromophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is PDGIHOFSPWUMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3/c15-10-2-1-3-11(16)9(10)8-18-12(19)14(17-13(18)20)4-6-21-7-5-14/h1-3H,4-8,16H2,(H,17,20).
What are the key properties of 3-[(2-amino-6-bromophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(2-amino-6-bromophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 354.20 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-6-bromophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 106528049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).