8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C16H19N3O4 — CID 47017588

IUPAC8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCOc1ccccc1C(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C16H19N3O4/c1-2-23-12-6-4-3-5-11(12)13(20)19-9-7-16(8-10-19)14(21)17-15(22)18-16/h3-6H,2,7-10H2,1H3,(H2,17,18,21,22)
InChIKeyBBPVZMFTIQQDOG-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.90
Rot. Bonds3

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

8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 47017588) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID47017588
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCOc1ccccc1C(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C16H19N3O4/c1-2-23-12-6-4-3-5-11(12)13(20)19-9-7-16(8-10-19)14(21)17-15(22)18-16/h3-6H,2,7-10H2,1H3,(H2,17,18,21,22)
InChIKeyBBPVZMFTIQQDOG-UHFFFAOYSA-N
XLogP0.90
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.90
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

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone
CID 17250136
(2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304464
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
8-(pyridine-2-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47138301
8-[(2S)-2-ethoxy-2-phenylacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 95583523
(3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718493
(3R)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718494
7-chloro-1'-(2-ethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 53169517
8-[3-(4-ethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56798699
2-(2-ethoxybenzoyl)-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one
CID 146066920
3-amino-1-[4-(2-ethoxybenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119285201
8-(4-methylthiophene-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 79777233

Frequently Asked Questions

What is the IUPAC name of 8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 47017588) is 8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCOc1ccccc1C(=O)N1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is BBPVZMFTIQQDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-2-23-12-6-4-3-5-11(12)13(20)19-9-7-16(8-10-19)14(21)17-15(22)18-16/h3-6H,2,7-10H2,1H3,(H2,17,18,21,22).
What are the key properties of 8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 317.35 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 47017588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).