3-(cyclohexylmethyl)-8-(3-phenylpropyl)-1-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C26H39N3O2 — CID 23109454

IUPAC3-(cyclohexylmethyl)-8-(3-phenylpropyl)-1-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCN1C(=O)N(CC2CCCCC2)C(=O)C12CCN(CCCc1ccccc1)CC2
InChIInChI=1S/C26H39N3O2/c1-2-17-29-25(31)28(21-23-12-7-4-8-13-23)24(30)26(29)15-19-27(20-16-26)18-9-14-22-10-5-3-6-11-22/h3,5-6,10-11,23H,2,4,7-9,12-21H2,1H3
InChIKeyZNJGZSBOMWEDER-UHFFFAOYSA-N
MW425.62 g/mol
LogP4.71
Rot. Bonds8

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

3-(cyclohexylmethyl)-8-(3-phenylpropyl)-1-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 23109454) has the molecular formula C26H39N3O2 and a molecular weight of 425.62 g/mol. Its IUPAC name is 3-(cyclohexylmethyl)-8-(3-phenylpropyl)-1-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(cyclohexylmethyl)-8-(3-phenylpropyl)-1-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID23109454
Molecular FormulaC26H39N3O2
Molecular Weight425.62 g/mol
Exact Mass425.30
IUPAC Name3-(cyclohexylmethyl)-8-(3-phenylpropyl)-1-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCN1C(=O)N(CC2CCCCC2)C(=O)C12CCN(CCCc1ccccc1)CC2
InChIInChI=1S/C26H39N3O2/c1-2-17-29-25(31)28(21-23-12-7-4-8-13-23)24(30)26(29)15-19-27(20-16-26)18-9-14-22-10-5-3-6-11-22/h3,5-6,10-11,23H,2,4,7-9,12-21H2,1H3
InChIKeyZNJGZSBOMWEDER-UHFFFAOYSA-N
XLogP4.71
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.62
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclohexylmethyl)-8-(5-hydroxypentyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 23109373
8-(1,3-benzodioxol-4-ylmethyl)-3-(cyclohexylmethyl)-1-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 23109436
1-butyl-3-(2-methylpropyl)-8-(6-phenylhexyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 23109302
3-(cyclohexylmethyl)-1-propyl-8-[(2,4,6-trimethoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 23109342
1-(3-methoxypropyl)-3-(naphthalen-2-ylmethyl)-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26140364
3-benzyl-1-butyl-8-(2-phenylmethoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 23109484
3-benzyl-1-(3-methoxypropyl)-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26213764
8-(3-methylbutyl)-3-(2-methylpropyl)-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 23109321
3-benzyl-8-[[(1R)-cyclohex-3-en-1-yl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26134019
(8aS)-1'-(6-phenylhexyl)-7-phenylmethoxy-2-propylspiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-3,4'-piperidine]-1,4-dione
CID 10392263
benzyl N-[4-[(3R)-2,5-dioxo-9-(3-phenylpropyl)-1-propyl-1,4,9-triazaspiro[5.5]undecan-3-yl]butyl]carbamate;hydrochloride
CID 10121116
1-benzyl-8-cyclopentyl-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143131

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethyl)-8-(3-phenylpropyl)-1-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(cyclohexylmethyl)-8-(3-phenylpropyl)-1-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 23109454) is 3-(cyclohexylmethyl)-8-(3-phenylpropyl)-1-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(cyclohexylmethyl)-8-(3-phenylpropyl)-1-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(cyclohexylmethyl)-8-(3-phenylpropyl)-1-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCN1C(=O)N(CC2CCCCC2)C(=O)C12CCN(CCCc1ccccc1)CC2.
What is the InChIKey of 3-(cyclohexylmethyl)-8-(3-phenylpropyl)-1-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is ZNJGZSBOMWEDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O2/c1-2-17-29-25(31)28(21-23-12-7-4-8-13-23)24(30)26(29)15-19-27(20-16-26)18-9-14-22-10-5-3-6-11-22/h3,5-6,10-11,23H,2,4,7-9,12-21H2,1H3.
What are the key properties of 3-(cyclohexylmethyl)-8-(3-phenylpropyl)-1-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-(cyclohexylmethyl)-8-(3-phenylpropyl)-1-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 425.62 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethyl)-8-(3-phenylpropyl)-1-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 23109454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).