2-(1-amino-3-phenylpropan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione

C17H22N2O2 — CID 63764615

IUPAC2-(1-amino-3-phenylpropan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESNCC(Cc1ccccc1)N1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C17H22N2O2/c18-12-14(10-13-6-2-1-3-7-13)19-15(20)11-17(16(19)21)8-4-5-9-17/h1-3,6-7,14H,4-5,8-12,18H2
InChIKeyKHRDVLNKAODTOI-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.88
Rot. Bonds4

About 2-(1-amino-3-phenylpropan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione

2-(1-amino-3-phenylpropan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 63764615) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(1-amino-3-phenylpropan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-(1-amino-3-phenylpropan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID63764615
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name2-(1-amino-3-phenylpropan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESNCC(Cc1ccccc1)N1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C17H22N2O2/c18-12-14(10-13-6-2-1-3-7-13)19-15(20)11-17(16(19)21)8-4-5-9-17/h1-3,6-7,14H,4-5,8-12,18H2
InChIKeyKHRDVLNKAODTOI-UHFFFAOYSA-N
XLogP1.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-amino-3-phenylpropan-2-yl)-2-azaspiro[4.4]nonane-1,3-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

2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-phenylpropanoic acid
CID 54773487
2-(4-aminobutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione
CID 62092760
1-(1-aminobutan-2-yl)-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 65191301
8-(2-amino-1-phenylethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 63763734
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-thiophen-2-ylacetic acid
CID 115284392
2-[[3-(aminomethyl)phenyl]methyl]-2-azaspiro[4.5]decane-1,3-dione
CID 43589447
2-(4,4-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine
CID 55157460
(2S)-2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)-3-(1H-indol-3-yl)propanoic acid
CID 129369187
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]azepane-2,7-dione
CID 107861522
3-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)pentanenitrile
CID 62646183
(2R)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-3-phenylpropanoic acid
CID 69108687
2-[(2R)-1-hydroxypropan-2-yl]-2-azaspiro[4.6]undecane-1,3-dione
CID 79028131

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-phenylpropan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-(1-amino-3-phenylpropan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione (CID 63764615) is 2-(1-amino-3-phenylpropan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-(1-amino-3-phenylpropan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-(1-amino-3-phenylpropan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione is NCC(Cc1ccccc1)N1C(=O)CC2(CCCC2)C1=O.
What is the InChIKey of 2-(1-amino-3-phenylpropan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is KHRDVLNKAODTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c18-12-14(10-13-6-2-1-3-7-13)19-15(20)11-17(16(19)21)8-4-5-9-17/h1-3,6-7,14H,4-5,8-12,18H2.
What are the key properties of 2-(1-amino-3-phenylpropan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione?
2-(1-amino-3-phenylpropan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 286.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-phenylpropan-2-yl)-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 63764615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).