8-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-2,8-diazaspiro[4.5]decane-1,3-dione

C19H22N2O3 — CID 146189681

IUPAC8-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCN(C(=O)[C@H]3CCCc4ccccc43)CC2)C(=O)N1
InChIInChI=1S/C19H22N2O3/c22-16-12-19(18(24)20-16)8-10-21(11-9-19)17(23)15-7-3-5-13-4-1-2-6-14(13)15/h1-2,4,6,15H,3,5,7-12H2,(H,20,22,24)/t15-/m0/s1
InChIKeyRZUGTWZGANTSMD-HNNXBMFYSA-N
MW326.40 g/mol
LogP1.76
Rot. Bonds1

About 8-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-2,8-diazaspiro[4.5]decane-1,3-dione

8-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-2,8-diazaspiro[4.5]decane-1,3-dione (PubChem CID 146189681) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 8-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-2,8-diazaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name8-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-2,8-diazaspiro[4.5]decane-1,3-dione
PubChem CID146189681
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name8-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCN(C(=O)[C@H]3CCCc4ccccc43)CC2)C(=O)N1
InChIInChI=1S/C19H22N2O3/c22-16-12-19(18(24)20-16)8-10-21(11-9-19)17(23)15-7-3-5-13-4-1-2-6-14(13)15/h1-2,4,6,15H,3,5,7-12H2,(H,20,22,24)/t15-/m0/s1
InChIKeyRZUGTWZGANTSMD-HNNXBMFYSA-N
XLogP1.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.76
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 8-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-2,8-diazaspiro[4.5]decane-1,3-dione?
The IUPAC name of 8-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-2,8-diazaspiro[4.5]decane-1,3-dione (CID 146189681) is 8-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-2,8-diazaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 8-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-2,8-diazaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 8-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-2,8-diazaspiro[4.5]decane-1,3-dione is O=C1CC2(CCN(C(=O)[C@H]3CCCc4ccccc43)CC2)C(=O)N1.
What is the InChIKey of 8-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-2,8-diazaspiro[4.5]decane-1,3-dione?
The InChIKey is RZUGTWZGANTSMD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-16-12-19(18(24)20-16)8-10-21(11-9-19)17(23)15-7-3-5-13-4-1-2-6-14(13)15/h1-2,4,6,15H,3,5,7-12H2,(H,20,22,24)/t15-/m0/s1.
What are the key properties of 8-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-2,8-diazaspiro[4.5]decane-1,3-dione?
8-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-2,8-diazaspiro[4.5]decane-1,3-dione has a molecular weight of 326.40 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]-2,8-diazaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 146189681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).