3-(3-bromo-2-phenylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

C16H19BrN2O2 — CID 65014536

IUPAC3-(3-bromo-2-phenylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CC(CBr)c1ccccc1
InChIInChI=1S/C16H19BrN2O2/c17-10-13(12-6-2-1-3-7-12)11-19-14(20)16(18-15(19)21)8-4-5-9-16/h1-3,6-7,13H,4-5,8-11H2,(H,18,21)
InChIKeyGXWDRXKRZRHWRO-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.03
Rot. Bonds4

About 3-(3-bromo-2-phenylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione

3-(3-bromo-2-phenylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 65014536) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is 3-(3-bromo-2-phenylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-(3-bromo-2-phenylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID65014536
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC Name3-(3-bromo-2-phenylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CC(CBr)c1ccccc1
InChIInChI=1S/C16H19BrN2O2/c17-10-13(12-6-2-1-3-7-12)11-19-14(20)16(18-15(19)21)8-4-5-9-16/h1-3,6-7,13H,4-5,8-11H2,(H,18,21)
InChIKeyGXWDRXKRZRHWRO-UHFFFAOYSA-N
XLogP3.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 64995551
3-(3-bromo-2-hydroxypropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 112560051
3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 64995612
3-[2-(bromomethyl)-3-methylbutyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 65011583
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3,3-diphenylpropyl)acetamide
CID 47093726
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 7609905
3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 92794477
8-(3-bromo-2-phenylpropyl)-8-azaspiro[4.5]decane
CID 65015412
N-[(S)-cyclopropyl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 33150830
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 41229330
N-[(R)-cyclopropyl(phenyl)methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 33150834
3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4825856

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-phenylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-(3-bromo-2-phenylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 65014536) is 3-(3-bromo-2-phenylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-(3-bromo-2-phenylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-(3-bromo-2-phenylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1CC(CBr)c1ccccc1.
What is the InChIKey of 3-(3-bromo-2-phenylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is GXWDRXKRZRHWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c17-10-13(12-6-2-1-3-7-12)11-19-14(20)16(18-15(19)21)8-4-5-9-16/h1-3,6-7,13H,4-5,8-11H2,(H,18,21).
What are the key properties of 3-(3-bromo-2-phenylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-(3-bromo-2-phenylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 351.24 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-phenylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 65014536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).