3-[2-(dimethylamino)ethyl]-1-ethyl-8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C19H30N4O4 — CID 26220254

IUPAC3-[2-(dimethylamino)ethyl]-1-ethyl-8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1ccc(CO)o1)CC2
InChIInChI=1S/C19H30N4O4/c1-4-23-18(26)22(12-11-20(2)3)17(25)19(23)7-9-21(10-8-19)13-15-5-6-16(14-24)27-15/h5-6,24H,4,7-14H2,1-3H3
InChIKeyRHRHUYFBKAFLMJ-UHFFFAOYSA-N
MW378.47 g/mol
LogP0.95
Rot. Bonds7

About 3-[2-(dimethylamino)ethyl]-1-ethyl-8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-[2-(dimethylamino)ethyl]-1-ethyl-8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26220254) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1-ethyl-8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1-ethyl-8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26220254
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC Name3-[2-(dimethylamino)ethyl]-1-ethyl-8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1ccc(CO)o1)CC2
InChIInChI=1S/C19H30N4O4/c1-4-23-18(26)22(12-11-20(2)3)17(25)19(23)7-9-21(10-8-19)13-15-5-6-16(14-24)27-15/h5-6,24H,4,7-14H2,1-3H3
InChIKeyRHRHUYFBKAFLMJ-UHFFFAOYSA-N
XLogP0.95
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-(dimethylamino)ethyl]-1-ethyl-8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1-ethyl-8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1-ethyl-8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26220254) is 3-[2-(dimethylamino)ethyl]-1-ethyl-8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1-ethyl-8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1-ethyl-8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)N(CCN(C)C)C(=O)C12CCN(Cc1ccc(CO)o1)CC2.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1-ethyl-8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is RHRHUYFBKAFLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-4-23-18(26)22(12-11-20(2)3)17(25)19(23)7-9-21(10-8-19)13-15-5-6-16(14-24)27-15/h5-6,24H,4,7-14H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-1-ethyl-8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[2-(dimethylamino)ethyl]-1-ethyl-8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 378.47 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1-ethyl-8-[[5-(hydroxymethyl)furan-2-yl]methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26220254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).