8-(1-benzofuran-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C20H25N3O3 — CID 26143522

IUPAC8-(1-benzofuran-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)N1C(=O)N(C)C2(CCN(Cc3cc4ccccc4o3)CC2)C1=O
InChIInChI=1S/C20H25N3O3/c1-14(2)23-18(24)20(21(3)19(23)25)8-10-22(11-9-20)13-16-12-15-6-4-5-7-17(15)26-16/h4-7,12,14H,8-11,13H2,1-3H3
InChIKeyHRZTWGYUYZYZSP-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.07
Rot. Bonds3

About 8-(1-benzofuran-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(1-benzofuran-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26143522) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 8-(1-benzofuran-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(1-benzofuran-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26143522
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name8-(1-benzofuran-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)N1C(=O)N(C)C2(CCN(Cc3cc4ccccc4o3)CC2)C1=O
InChIInChI=1S/C20H25N3O3/c1-14(2)23-18(24)20(21(3)19(23)25)8-10-22(11-9-20)13-16-12-15-6-4-5-7-17(15)26-16/h4-7,12,14H,8-11,13H2,1-3H3
InChIKeyHRZTWGYUYZYZSP-UHFFFAOYSA-N
XLogP3.07
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(9H-fluoren-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26134808
8-[(9-ethylcarbazol-3-yl)methyl]-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26222110
[1-(1-benzofuran-2-ylmethyl)-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780518
1-(1-benzofuran-2-ylmethyl)-3,3-dimethylpiperidine;hydrochloride
CID 57395907
1'-(1-benzofuran-2-ylmethyl)spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 110235862
1-methyl-8-(2-methylpropyl)-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26229873
8-(furan-3-ylmethyl)-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26135023
ethyl 4-[(2S)-6-(1-benzofuran-2-ylmethyl)-6-azaspiro[2.5]octane-2-carbonyl]piperazine-1-carboxylate
CID 42275119
1-(1-benzofuran-2-ylmethyl)-4-(2-chloro-6-methylphenyl)sulfonylpiperazine
CID 6736936
N-[[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241043
1-[1'-(1-benzofuran-2-ylmethyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
CID 72937798
1-[1'-(1-benzofuran-2-ylmethyl)spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl]ethanone
CID 58089777

Frequently Asked Questions

What is the IUPAC name of 8-(1-benzofuran-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(1-benzofuran-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26143522) is 8-(1-benzofuran-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(1-benzofuran-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(1-benzofuran-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)N1C(=O)N(C)C2(CCN(Cc3cc4ccccc4o3)CC2)C1=O.
What is the InChIKey of 8-(1-benzofuran-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is HRZTWGYUYZYZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(2)23-18(24)20(21(3)19(23)25)8-10-22(11-9-20)13-16-12-15-6-4-5-7-17(15)26-16/h4-7,12,14H,8-11,13H2,1-3H3.
What are the key properties of 8-(1-benzofuran-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(1-benzofuran-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 355.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-benzofuran-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26143522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).