8-[(2S)-2-ethoxy-2-phenylacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C17H21N3O4 — CID 95583523

IUPAC8-[(2S)-2-ethoxy-2-phenylacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCO[C@H](C(=O)N1CCC2(CC1)NC(=O)NC2=O)c1ccccc1
InChIInChI=1S/C17H21N3O4/c1-2-24-13(12-6-4-3-5-7-12)14(21)20-10-8-17(9-11-20)15(22)18-16(23)19-17/h3-7,13H,2,8-11H2,1H3,(H2,18,19,22,23)/t13-/m0/s1
InChIKeySPSBLGJGLOUUEK-ZDUSSCGKSA-N
MW331.37 g/mol
LogP0.96
Rot. Bonds4

About 8-[(2S)-2-ethoxy-2-phenylacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(2S)-2-ethoxy-2-phenylacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 95583523) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 8-[(2S)-2-ethoxy-2-phenylacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(2S)-2-ethoxy-2-phenylacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID95583523
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name8-[(2S)-2-ethoxy-2-phenylacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCO[C@H](C(=O)N1CCC2(CC1)NC(=O)NC2=O)c1ccccc1
InChIInChI=1S/C17H21N3O4/c1-2-24-13(12-6-4-3-5-7-12)14(21)20-10-8-17(9-11-20)15(22)18-16(23)19-17/h3-7,13H,2,8-11H2,1H3,(H2,18,19,22,23)/t13-/m0/s1
InChIKeySPSBLGJGLOUUEK-ZDUSSCGKSA-N
XLogP0.96
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-7-[(2R,3S)-3-methyl-2-phenylpentanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 98767916
8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47017588
8-(2-amino-3-methylpentanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60963359
1-[1-[(2R)-2-ethoxy-2-phenylacetyl]piperidin-4-yl]imidazolidin-2-one
CID 95582733
3-amino-4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-4-oxobutanoic acid
CID 64894748
2-ethoxy-1-[4-(ethylaminomethyl)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119644444
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-ethoxy-2-phenylethanone;hydrochloride
CID 120657713
7-(2-phenylsulfanylacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996449
8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109419
N-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 55023657
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-ethoxy-2-phenylethanone;hydrochloride
CID 119621849
2-[4-[(2R)-2-ethoxy-2-phenylacetyl]-1,4-diazepan-1-yl]acetamide
CID 95584791

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-2-ethoxy-2-phenylacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(2S)-2-ethoxy-2-phenylacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 95583523) is 8-[(2S)-2-ethoxy-2-phenylacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(2S)-2-ethoxy-2-phenylacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(2S)-2-ethoxy-2-phenylacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCO[C@H](C(=O)N1CCC2(CC1)NC(=O)NC2=O)c1ccccc1.
What is the InChIKey of 8-[(2S)-2-ethoxy-2-phenylacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is SPSBLGJGLOUUEK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-2-24-13(12-6-4-3-5-7-12)14(21)20-10-8-17(9-11-20)15(22)18-16(23)19-17/h3-7,13H,2,8-11H2,1H3,(H2,18,19,22,23)/t13-/m0/s1.
What are the key properties of 8-[(2S)-2-ethoxy-2-phenylacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[(2S)-2-ethoxy-2-phenylacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 331.37 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-2-ethoxy-2-phenylacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 95583523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).