2,4-dioxo-N-(4-propylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C17H22N4O3 — CID 138005736

IUPAC2,4-dioxo-N-(4-propylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESCCCc1ccc(NC(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1
InChIInChI=1S/C17H22N4O3/c1-2-3-12-4-6-13(7-5-12)18-16(24)21-10-8-17(9-11-21)14(22)19-15(23)20-17/h4-7H,2-3,8-11H2,1H3,(H,18,24)(H2,19,20,22,23)
InChIKeyOTEKMLRMSDFBCW-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.85
Rot. Bonds3

About 2,4-dioxo-N-(4-propylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide

2,4-dioxo-N-(4-propylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 138005736) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2,4-dioxo-N-(4-propylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-(4-propylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
PubChem CID138005736
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2,4-dioxo-N-(4-propylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESCCCc1ccc(NC(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1
InChIInChI=1S/C17H22N4O3/c1-2-3-12-4-6-13(7-5-12)18-16(24)21-10-8-17(9-11-21)14(22)19-15(23)20-17/h4-7H,2-3,8-11H2,1H3,(H,18,24)(H2,19,20,22,23)
InChIKeyOTEKMLRMSDFBCW-UHFFFAOYSA-N
XLogP1.85
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 55023657
N-[4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carbonyl)phenyl]acetamide
CID 36871410
8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109419
8-[3-(4-ethoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56798699
N-(4-butylphenyl)pyrrolidine-1-carboxamide
CID 6467545
N-[4-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carbonyl)phenyl]acetamide
CID 147946816
8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 54873032
8-(2-amino-2-ethylbutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 79814900
N-[4-(aminomethyl)phenyl]-4-ethyl-4-methylpiperidine-1-carboxamide
CID 63161794
N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide
CID 115581766
4-[(4-butylphenyl)carbamothioyl]-N-phenylpiperazine-1-carboxamide
CID 9240911
4-(3-chlorophenyl)-N-(4-propylphenyl)piperazine-1-carboxamide
CID 112824938

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-(4-propylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 2,4-dioxo-N-(4-propylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 138005736) is 2,4-dioxo-N-(4-propylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-(4-propylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 2,4-dioxo-N-(4-propylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide is CCCc1ccc(NC(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1.
What is the InChIKey of 2,4-dioxo-N-(4-propylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The InChIKey is OTEKMLRMSDFBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-2-3-12-4-6-13(7-5-12)18-16(24)21-10-8-17(9-11-21)14(22)19-15(23)20-17/h4-7H,2-3,8-11H2,1H3,(H,18,24)(H2,19,20,22,23).
What are the key properties of 2,4-dioxo-N-(4-propylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
2,4-dioxo-N-(4-propylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-(4-propylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 138005736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).