8-(3-amino-4-ethylphenyl)-8-azaspiro[4.5]decane-7,9-dione

C17H22N2O2 — CID 61069457

IUPAC8-(3-amino-4-ethylphenyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESCCc1ccc(N2C(=O)CC3(CCCC3)CC2=O)cc1N
InChIInChI=1S/C17H22N2O2/c1-2-12-5-6-13(9-14(12)18)19-15(20)10-17(11-16(19)21)7-3-4-8-17/h5-6,9H,2-4,7-8,10-11,18H2,1H3
InChIKeyYSMOLGKAFFIBIX-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.05
Rot. Bonds2

About 8-(3-amino-4-ethylphenyl)-8-azaspiro[4.5]decane-7,9-dione

8-(3-amino-4-ethylphenyl)-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 61069457) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 8-(3-amino-4-ethylphenyl)-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-(3-amino-4-ethylphenyl)-8-azaspiro[4.5]decane-7,9-dione
PubChem CID61069457
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name8-(3-amino-4-ethylphenyl)-8-azaspiro[4.5]decane-7,9-dione
SMILESCCc1ccc(N2C(=O)CC3(CCCC3)CC2=O)cc1N
InChIInChI=1S/C17H22N2O2/c1-2-12-5-6-13(9-14(12)18)19-15(20)10-17(11-16(19)21)7-3-4-8-17/h5-6,9H,2-4,7-8,10-11,18H2,1H3
InChIKeyYSMOLGKAFFIBIX-UHFFFAOYSA-N
XLogP3.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(3-amino-4-ethylphenyl)-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-(3-amino-4-ethylphenyl)-8-azaspiro[4.5]decane-7,9-dione (CID 61069457) is 8-(3-amino-4-ethylphenyl)-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-(3-amino-4-ethylphenyl)-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-(3-amino-4-ethylphenyl)-8-azaspiro[4.5]decane-7,9-dione is CCc1ccc(N2C(=O)CC3(CCCC3)CC2=O)cc1N.
What is the InChIKey of 8-(3-amino-4-ethylphenyl)-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is YSMOLGKAFFIBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-12-5-6-13(9-14(12)18)19-15(20)10-17(11-16(19)21)7-3-4-8-17/h5-6,9H,2-4,7-8,10-11,18H2,1H3.
What are the key properties of 8-(3-amino-4-ethylphenyl)-8-azaspiro[4.5]decane-7,9-dione?
8-(3-amino-4-ethylphenyl)-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 286.38 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-amino-4-ethylphenyl)-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 61069457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).