8-[4-[ethyl(propan-2-yl)amino]benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C19H26N4O3 — CID 51128402

IUPAC8-[4-[ethyl(propan-2-yl)amino]benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN(c1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1)C(C)C
InChIInChI=1S/C19H26N4O3/c1-4-23(13(2)3)15-7-5-14(6-8-15)16(24)22-11-9-19(10-12-22)17(25)20-18(26)21-19/h5-8,13H,4,9-12H2,1-3H3,(H2,20,21,25,26)
InChIKeyDGZHYXAJFYLCIF-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.74
Rot. Bonds4

About 8-[4-[ethyl(propan-2-yl)amino]benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[4-[ethyl(propan-2-yl)amino]benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 51128402) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 8-[4-[ethyl(propan-2-yl)amino]benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[4-[ethyl(propan-2-yl)amino]benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID51128402
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name8-[4-[ethyl(propan-2-yl)amino]benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCN(c1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1)C(C)C
InChIInChI=1S/C19H26N4O3/c1-4-23(13(2)3)15-7-5-14(6-8-15)16(24)22-11-9-19(10-12-22)17(25)20-18(26)21-19/h5-8,13H,4,9-12H2,1-3H3,(H2,20,21,25,26)
InChIKeyDGZHYXAJFYLCIF-UHFFFAOYSA-N
XLogP1.74
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(4-aminobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60963106
N-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)phenyl]acetamide
CID 36871410
[4-[ethyl(propan-2-yl)amino]phenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51128361
8-(6-chloropyridine-3-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60709573
N,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
CID 78996102
N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide
CID 147946816
8-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 24608682
N-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 55023657
8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109419
8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47017588
8-(2-amino-3-methylpentanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 60963359
5-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 24659198

Frequently Asked Questions

What is the IUPAC name of 8-[4-[ethyl(propan-2-yl)amino]benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[4-[ethyl(propan-2-yl)amino]benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 51128402) is 8-[4-[ethyl(propan-2-yl)amino]benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[4-[ethyl(propan-2-yl)amino]benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[4-[ethyl(propan-2-yl)amino]benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN(c1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1)C(C)C.
What is the InChIKey of 8-[4-[ethyl(propan-2-yl)amino]benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is DGZHYXAJFYLCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-4-23(13(2)3)15-7-5-14(6-8-15)16(24)22-11-9-19(10-12-22)17(25)20-18(26)21-19/h5-8,13H,4,9-12H2,1-3H3,(H2,20,21,25,26).
What are the key properties of 8-[4-[ethyl(propan-2-yl)amino]benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[4-[ethyl(propan-2-yl)amino]benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 358.44 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[ethyl(propan-2-yl)amino]benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 51128402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).