17-[2-(dimethylamino)ethyl]-1',3'-diethyl-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione

C26H38N4O4 — CID 123265810

IUPAC17-[2-(dimethylamino)ethyl]-1',3'-diethyl-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
SMILESCCN1C(=O)N(CC)C2(CCC3(O)C4Cc5ccc(O)cc5C3(CCN4CCN(C)C)C2)C1=O
InChIInChI=1S/C26H38N4O4/c1-5-29-22(32)25(30(6-2)23(29)33)9-10-26(34)21-15-18-7-8-19(31)16-20(18)24(26,17-25)11-12-28(21)14-13-27(3)4/h7-8,16,21,31,34H,5-6,9-15,17H2,1-4H3
InChIKeyUIPQRZAJVGOGNL-UHFFFAOYSA-N
MW470.61 g/mol
LogP1.78
Rot. Bonds5

About 17-[2-(dimethylamino)ethyl]-1',3'-diethyl-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione

17-[2-(dimethylamino)ethyl]-1',3'-diethyl-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione (PubChem CID 123265810) has the molecular formula C26H38N4O4 and a molecular weight of 470.61 g/mol. Its IUPAC name is 17-[2-(dimethylamino)ethyl]-1',3'-diethyl-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name17-[2-(dimethylamino)ethyl]-1',3'-diethyl-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
PubChem CID123265810
Molecular FormulaC26H38N4O4
Molecular Weight470.61 g/mol
Exact Mass470.29
IUPAC Name17-[2-(dimethylamino)ethyl]-1',3'-diethyl-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione
SMILESCCN1C(=O)N(CC)C2(CCC3(O)C4Cc5ccc(O)cc5C3(CCN4CCN(C)C)C2)C1=O
InChIInChI=1S/C26H38N4O4/c1-5-29-22(32)25(30(6-2)23(29)33)9-10-26(34)21-15-18-7-8-19(31)16-20(18)24(26,17-25)11-12-28(21)14-13-27(3)4/h7-8,16,21,31,34H,5-6,9-15,17H2,1-4H3
InChIKeyUIPQRZAJVGOGNL-UHFFFAOYSA-N
XLogP1.78
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 17-[2-(dimethylamino)ethyl]-1',3'-diethyl-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-[2-(dimethylamino)ethyl]-1',3'-diethyl-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 17-[2-(dimethylamino)ethyl]-1',3'-diethyl-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione (CID 123265810) is 17-[2-(dimethylamino)ethyl]-1',3'-diethyl-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 17-[2-(dimethylamino)ethyl]-1',3'-diethyl-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 17-[2-(dimethylamino)ethyl]-1',3'-diethyl-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione is CCN1C(=O)N(CC)C2(CCC3(O)C4Cc5ccc(O)cc5C3(CCN4CCN(C)C)C2)C1=O.
What is the InChIKey of 17-[2-(dimethylamino)ethyl]-1',3'-diethyl-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione?
The InChIKey is UIPQRZAJVGOGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O4/c1-5-29-22(32)25(30(6-2)23(29)33)9-10-26(34)21-15-18-7-8-19(31)16-20(18)24(26,17-25)11-12-28(21)14-13-27(3)4/h7-8,16,21,31,34H,5-6,9-15,17H2,1-4H3.
What are the key properties of 17-[2-(dimethylamino)ethyl]-1',3'-diethyl-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione?
17-[2-(dimethylamino)ethyl]-1',3'-diethyl-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione has a molecular weight of 470.61 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[2-(dimethylamino)ethyl]-1',3'-diethyl-4,10-dihydroxyspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 123265810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).