1-benzyl-8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C27H33N3O2 — CID 26222784

IUPAC1-benzyl-8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1C(=O)N(Cc2ccccc2)C2(CCN(C3Cc4ccccc4C3)CC2)C1=O
InChIInChI=1S/C27H33N3O2/c1-20(2)18-29-25(31)27(30(26(29)32)19-21-8-4-3-5-9-21)12-14-28(15-13-27)24-16-22-10-6-7-11-23(22)17-24/h3-11,20,24H,12-19H2,1-2H3
InChIKeyKQANJXJWFGPTRS-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.11
Rot. Bonds5

About 1-benzyl-8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1-benzyl-8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26222784) has the molecular formula C27H33N3O2 and a molecular weight of 431.58 g/mol. Its IUPAC name is 1-benzyl-8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-benzyl-8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26222784
Molecular FormulaC27H33N3O2
Molecular Weight431.58 g/mol
Exact Mass431.26
IUPAC Name1-benzyl-8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CN1C(=O)N(Cc2ccccc2)C2(CCN(C3Cc4ccccc4C3)CC2)C1=O
InChIInChI=1S/C27H33N3O2/c1-20(2)18-29-25(31)27(30(26(29)32)19-21-8-4-3-5-9-21)12-14-28(15-13-27)24-16-22-10-6-7-11-23(22)17-24/h3-11,20,24H,12-19H2,1-2H3
InChIKeyKQANJXJWFGPTRS-UHFFFAOYSA-N
XLogP4.11
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-benzyl-8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26222784) is 1-benzyl-8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-benzyl-8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-benzyl-8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CN1C(=O)N(Cc2ccccc2)C2(CCN(C3Cc4ccccc4C3)CC2)C1=O.
What is the InChIKey of 1-benzyl-8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is KQANJXJWFGPTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O2/c1-20(2)18-29-25(31)27(30(26(29)32)19-21-8-4-3-5-9-21)12-14-28(15-13-27)24-16-22-10-6-7-11-23(22)17-24/h3-11,20,24H,12-19H2,1-2H3.
What are the key properties of 1-benzyl-8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1-benzyl-8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 431.58 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-(2,3-dihydro-1H-inden-2-yl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26222784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).