4-tert-butyl-N-[1-(2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl)-3-methyl-1-oxobutan-2-yl]benzamide

C23H32N4O4 — CID 154864361

IUPAC4-tert-butyl-N-[1-(2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C23H32N4O4/c1-14(2)17(24-18(28)15-7-9-16(10-8-15)22(3,4)5)19(29)27-12-6-11-23(13-27)20(30)25-21(31)26-23/h7-10,14,17H,6,11-13H2,1-5H3,(H,24,28)(H2,25,26,30,31)
InChIKeyRTDZOQUUUOLCFP-UHFFFAOYSA-N
MW428.53 g/mol
LogP1.94
Rot. Bonds4

About 4-tert-butyl-N-[1-(2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl)-3-methyl-1-oxobutan-2-yl]benzamide

4-tert-butyl-N-[1-(2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl)-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 154864361) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is 4-tert-butyl-N-[1-(2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl)-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[1-(2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl)-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID154864361
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name4-tert-butyl-N-[1-(2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl)-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C23H32N4O4/c1-14(2)17(24-18(28)15-7-9-16(10-8-15)22(3,4)5)19(29)27-12-6-11-23(13-27)20(30)25-21(31)26-23/h7-10,14,17H,6,11-13H2,1-5H3,(H,24,28)(H2,25,26,30,31)
InChIKeyRTDZOQUUUOLCFP-UHFFFAOYSA-N
XLogP1.94
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N-[1-(2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl)-3-methyl-1-oxobutan-2-yl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide
CID 9115909
4-tert-butyl-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 119418511
9-(2-methoxypropanoyl)-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 113374783
methyl 1-[(2R)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylate
CID 97254272
4-tert-butyl-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119563820
4-tert-butyl-N-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)-1-oxobutan-2-yl]benzamide
CID 55437877
N-[1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide
CID 120656553
4-methyl-N-[3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxobutan-2-yl]benzamide
CID 18159891
4-tert-butyl-N-[(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55944109
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 7997539
4-fluoro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzamide
CID 9104538
9-prop-1-en-2-yl-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 70214165

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[1-(2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl)-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[1-(2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl)-3-methyl-1-oxobutan-2-yl]benzamide (CID 154864361) is 4-tert-butyl-N-[1-(2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl)-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[1-(2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl)-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[1-(2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl)-3-methyl-1-oxobutan-2-yl]benzamide is CC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCCC2(C1)NC(=O)NC2=O.
What is the InChIKey of 4-tert-butyl-N-[1-(2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl)-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is RTDZOQUUUOLCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-14(2)17(24-18(28)15-7-9-16(10-8-15)22(3,4)5)19(29)27-12-6-11-23(13-27)20(30)25-21(31)26-23/h7-10,14,17H,6,11-13H2,1-5H3,(H,24,28)(H2,25,26,30,31).
What are the key properties of 4-tert-butyl-N-[1-(2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl)-3-methyl-1-oxobutan-2-yl]benzamide?
4-tert-butyl-N-[1-(2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl)-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 428.53 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[1-(2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl)-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 154864361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).