8-(9H-fluoren-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C25H29N3O2 — CID 26134808

IUPAC8-(9H-fluoren-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(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)C1=O
InChIInChI=1S/C25H29N3O2/c1-17(2)28-23(29)25(26(3)24(28)30)10-12-27(13-11-25)16-18-8-9-22-20(14-18)15-19-6-4-5-7-21(19)22/h4-9,14,17H,10-13,15-16H2,1-3H3
InChIKeyLHFIESINGNGTTO-UHFFFAOYSA-N
MW403.53 g/mol
LogP3.89
Rot. Bonds3

About 8-(9H-fluoren-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(9H-fluoren-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26134808) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 8-(9H-fluoren-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(9H-fluoren-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26134808
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name8-(9H-fluoren-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(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)C1=O
InChIInChI=1S/C25H29N3O2/c1-17(2)28-23(29)25(26(3)24(28)30)10-12-27(13-11-25)16-18-8-9-22-20(14-18)15-19-6-4-5-7-21(19)22/h4-9,14,17H,10-13,15-16H2,1-3H3
InChIKeyLHFIESINGNGTTO-UHFFFAOYSA-N
XLogP3.89
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 53.89
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 8-(9H-fluoren-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(9H-fluoren-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26134808) is 8-(9H-fluoren-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-(9H-fluoren-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(9H-fluoren-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(Cc3ccc4c(c3)Cc3ccccc3-4)CC2)C1=O.
What is the InChIKey of 8-(9H-fluoren-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is LHFIESINGNGTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-17(2)28-23(29)25(26(3)24(28)30)10-12-27(13-11-25)16-18-8-9-22-20(14-18)15-19-6-4-5-7-21(19)22/h4-9,14,17H,10-13,15-16H2,1-3H3.
What are the key properties of 8-(9H-fluoren-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(9H-fluoren-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 403.53 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(9H-fluoren-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26134808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).