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'}

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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).