8-[2-(3-methoxyphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C19H25N3O5 — CID 110493992

IUPAC8-[2-(3-methoxyphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cccc(OCC(=O)N2CCC3(CC2)NC(=O)N(C(C)C)C3=O)c1
InChIInChI=1S/C19H25N3O5/c1-13(2)22-17(24)19(20-18(22)25)7-9-21(10-8-19)16(23)12-27-15-6-4-5-14(11-15)26-3/h4-6,11,13H,7-10,12H2,1-3H3,(H,20,25)
InChIKeyXESJEQSXKZBPPX-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.40
Rot. Bonds5

About 8-[2-(3-methoxyphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[2-(3-methoxyphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 110493992) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 8-[2-(3-methoxyphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[2-(3-methoxyphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID110493992
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name8-[2-(3-methoxyphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCOc1cccc(OCC(=O)N2CCC3(CC2)NC(=O)N(C(C)C)C3=O)c1
InChIInChI=1S/C19H25N3O5/c1-13(2)22-17(24)19(20-18(22)25)7-9-21(10-8-19)16(23)12-27-15-6-4-5-14(11-15)26-3/h4-6,11,13H,7-10,12H2,1-3H3,(H,20,25)
InChIKeyXESJEQSXKZBPPX-UHFFFAOYSA-N
XLogP1.40
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[2-(4-ethylphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110493997
8-[2-(3-methoxyphenoxy)acetyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165420308
8-(3-methylbutanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110493938
3-[4-[2-(3-methoxyphenoxy)acetyl]piperazin-1-yl]-3-oxopropanoate
CID 2050396
8-[2-(4-bromophenyl)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494059
1-(1,4-diazepan-1-yl)-2-(3-methoxyphenoxy)ethanone;hydrochloride
CID 119414905
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
8-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110494006
3-[(2-chlorophenyl)methyl]-8-[2-(3-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83277160
3-[(3-chlorophenyl)methyl]-8-[2-(3-methylphenoxy)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83277156
2-(3-methoxyphenoxy)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride
CID 71782662
8-(3-methoxybenzoyl)-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27421170

Frequently Asked Questions

What is the IUPAC name of 8-[2-(3-methoxyphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[2-(3-methoxyphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 110493992) is 8-[2-(3-methoxyphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[2-(3-methoxyphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[2-(3-methoxyphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is COc1cccc(OCC(=O)N2CCC3(CC2)NC(=O)N(C(C)C)C3=O)c1.
What is the InChIKey of 8-[2-(3-methoxyphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is XESJEQSXKZBPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-13(2)22-17(24)19(20-18(22)25)7-9-21(10-8-19)16(23)12-27-15-6-4-5-14(11-15)26-3/h4-6,11,13H,7-10,12H2,1-3H3,(H,20,25).
What are the key properties of 8-[2-(3-methoxyphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[2-(3-methoxyphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 375.43 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3-methoxyphenoxy)acetyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 110493992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).