8-[5-(3-methoxynaphthalen-2-yl)-5-oxopentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C23H27N3O4 — CID 18931118

IUPAC8-[5-(3-methoxynaphthalen-2-yl)-5-oxopentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cc2ccccc2cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C23H27N3O4/c1-30-20-15-17-7-3-2-6-16(17)14-18(20)19(27)8-4-5-11-26-12-9-23(10-13-26)21(28)24-22(29)25-23/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H2,24,25,28,29)
InChIKeyWTLJSECQAXBWSA-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.88
Rot. Bonds7

About 8-[5-(3-methoxynaphthalen-2-yl)-5-oxopentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[5-(3-methoxynaphthalen-2-yl)-5-oxopentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 18931118) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 8-[5-(3-methoxynaphthalen-2-yl)-5-oxopentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[5-(3-methoxynaphthalen-2-yl)-5-oxopentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID18931118
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name8-[5-(3-methoxynaphthalen-2-yl)-5-oxopentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cc2ccccc2cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C23H27N3O4/c1-30-20-15-17-7-3-2-6-16(17)14-18(20)19(27)8-4-5-11-26-12-9-23(10-13-26)21(28)24-22(29)25-23/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H2,24,25,28,29)
InChIKeyWTLJSECQAXBWSA-UHFFFAOYSA-N
XLogP2.88
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[5-oxo-5-(2,4,5-trimethoxyphenyl)pentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 18931240
8-[7-(5-chloro-2-methoxyphenyl)-7-oxoheptyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 18931398
N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]methanesulfonamide
CID 18931312
2-chloro-N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]benzenesulfonamide
CID 18931172
8-[5-(3,5-dichloro-2-methoxyphenyl)-5-oxopentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 18931204
3-methyl-8-[5-oxo-5-(2,4,5-trimethoxyphenyl)pentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 18931144
N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]-4-nitrobenzenesulfonamide;hydrochloride
CID 18931428
8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098593
8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098568
N-[5-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4-dimethoxyphenyl]-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-sulfonamide;hydrochloride
CID 18931244
N-[3-[5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)pentanoyl]-2,4,6-trimethoxyphenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 18931112
8-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 25121958

Frequently Asked Questions

What is the IUPAC name of 8-[5-(3-methoxynaphthalen-2-yl)-5-oxopentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[5-(3-methoxynaphthalen-2-yl)-5-oxopentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 18931118) is 8-[5-(3-methoxynaphthalen-2-yl)-5-oxopentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[5-(3-methoxynaphthalen-2-yl)-5-oxopentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[5-(3-methoxynaphthalen-2-yl)-5-oxopentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1cc2ccccc2cc1C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-[5-(3-methoxynaphthalen-2-yl)-5-oxopentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is WTLJSECQAXBWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-30-20-15-17-7-3-2-6-16(17)14-18(20)19(27)8-4-5-11-26-12-9-23(10-13-26)21(28)24-22(29)25-23/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H2,24,25,28,29).
What are the key properties of 8-[5-(3-methoxynaphthalen-2-yl)-5-oxopentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[5-(3-methoxynaphthalen-2-yl)-5-oxopentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 409.49 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(3-methoxynaphthalen-2-yl)-5-oxopentyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 18931118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).