[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

C27H30FN3O5 — CID 42976911

IUPAC[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)OC(C(=O)Nc1ccc(F)cc1)c1ccccc1)C2=O
InChIInChI=1S/C27H30FN3O5/c1-17-13-26(2,3)16-27(14-17)24(34)31(25(35)30-27)15-21(32)36-22(18-7-5-4-6-8-18)23(33)29-20-11-9-19(28)10-12-20/h4-12,17,22H,13-16H2,1-3H3,(H,29,33)(H,30,35)
InChIKeyJCMXGDHXBBZYIY-UHFFFAOYSA-N
MW495.55 g/mol
LogP4.19
Rot. Bonds6

About [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (PubChem CID 42976911) has the molecular formula C27H30FN3O5 and a molecular weight of 495.55 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
PubChem CID42976911
Molecular FormulaC27H30FN3O5
Molecular Weight495.55 g/mol
Exact Mass495.22
IUPAC Name[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)OC(C(=O)Nc1ccc(F)cc1)c1ccccc1)C2=O
InChIInChI=1S/C27H30FN3O5/c1-17-13-26(2,3)16-27(14-17)24(34)31(25(35)30-27)15-21(32)36-22(18-7-5-4-6-8-18)23(33)29-20-11-9-19(28)10-12-20/h4-12,17,22H,13-16H2,1-3H3,(H,29,33)(H,30,35)
InChIKeyJCMXGDHXBBZYIY-UHFFFAOYSA-N
XLogP4.19
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.55
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate with MolForge

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Related Compounds

(2-anilino-2-oxoethyl) 2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7652117
[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793393
N-benzhydryl-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579653
N-(4-acetamidophenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 18775895
N-(4-methylphenyl)-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2486566
2-(4-fluorophenoxy)ethyl 2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7651688
N-[4-(difluoromethoxy)phenyl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2579576
N-[4-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7962016
methyl 4-[[2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate
CID 7741274
N-[(2-fluorophenyl)methyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24982653
N-(4-fluoro-2-methylphenyl)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8864594
[(1S)-1-cyanoethyl] 2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7651944

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (CID 42976911) is [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)OC(C(=O)Nc1ccc(F)cc1)c1ccccc1)C2=O.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The InChIKey is JCMXGDHXBBZYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O5/c1-17-13-26(2,3)16-27(14-17)24(34)31(25(35)30-27)15-21(32)36-22(18-7-5-4-6-8-18)23(33)29-20-11-9-19(28)10-12-20/h4-12,17,22H,13-16H2,1-3H3,(H,29,33)(H,30,35).
What are the key properties of [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 495.55 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 42976911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).