3-ethyl-N-[3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide

C28H34N4O4 — CID 123840274

IUPAC3-ethyl-N-[3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide
SMILESCCc1cccc(C(=O)NC(C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3c2ccccc2)C(C)C)c1
InChIInChI=1S/C28H34N4O4/c1-5-20-10-9-11-21(18-20)24(33)29-23(19(2)3)25(34)31-16-14-28(15-17-31)26(35)30(4)27(36)32(28)22-12-7-6-8-13-22/h6-13,18-19,23H,5,14-17H2,1-4H3,(H,29,33)
InChIKeyPOTURENPSFEWGN-UHFFFAOYSA-N
MW490.60 g/mol
LogP3.46
Rot. Bonds6

About 3-ethyl-N-[3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide

3-ethyl-N-[3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide (PubChem CID 123840274) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is 3-ethyl-N-[3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name3-ethyl-N-[3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide
PubChem CID123840274
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Name3-ethyl-N-[3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide
SMILESCCc1cccc(C(=O)NC(C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3c2ccccc2)C(C)C)c1
InChIInChI=1S/C28H34N4O4/c1-5-20-10-9-11-21(18-20)24(33)29-23(19(2)3)25(34)31-16-14-28(15-17-31)26(35)30(4)27(36)32(28)22-12-7-6-8-13-22/h6-13,18-19,23H,5,14-17H2,1-4H3,(H,29,33)
InChIKeyPOTURENPSFEWGN-UHFFFAOYSA-N
XLogP3.46
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-5-fluoro-N-[(2R)-3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide
CID 129205927
3,5-dichloro-N-[(2R)-3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide
CID 118417345
3-ethyl-5-fluoro-N-[3-methoxy-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide
CID 123770432
2,5-dichloro-N-[(2R)-3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide
CID 118417221
N-[(1R)-1-cyclohexyl-2-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-methylbenzamide
CID 91938074
2-fluoro-3-methyl-N-[(2R,3R)-3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxopentan-2-yl]benzamide
CID 118417673
4-[8-[(2R)-2-[(5-cyclopropyl-2-fluorobenzoyl)amino]-3-methylbutanoyl]-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-1-yl]benzoic acid
CID 118417360
2-fluoro-N-[(2R)-1-[1-(4-fluorophenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-5-methylbenzamide
CID 135188229
N-[(2R)-1-[1-(3-cyanophenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-methylbenzamide
CID 129224590
N-[1-[1-(3-cyanophenyl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 118417138
3-methyl-N-[3-methyl-1-oxo-1-(2-oxo-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-8-yl)butan-2-yl]benzamide
CID 118417206
N-[1-[1-(1H-indazol-5-yl)-3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
CID 118417327

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide?
The IUPAC name of 3-ethyl-N-[3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide (CID 123840274) is 3-ethyl-N-[3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 3-ethyl-N-[3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 3-ethyl-N-[3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide is CCc1cccc(C(=O)NC(C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3c2ccccc2)C(C)C)c1.
What is the InChIKey of 3-ethyl-N-[3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide?
The InChIKey is POTURENPSFEWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-5-20-10-9-11-21(18-20)24(33)29-23(19(2)3)25(34)31-16-14-28(15-17-31)26(35)30(4)27(36)32(28)22-12-7-6-8-13-22/h6-13,18-19,23H,5,14-17H2,1-4H3,(H,29,33).
What are the key properties of 3-ethyl-N-[3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide?
3-ethyl-N-[3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide has a molecular weight of 490.60 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[3-methyl-1-(3-methyl-2,4-dioxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 123840274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).