N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C24H31F3N4O4 — CID 41236325

IUPACN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESC[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C2=O
InChIInChI=1S/C24H31F3N4O4/c1-15-11-22(2,3)14-23(12-15)20(33)31(21(34)29-23)13-19(32)28-17-10-16(24(25,26)27)4-5-18(17)30-6-8-35-9-7-30/h4-5,10,15H,6-9,11-14H2,1-3H3,(H,28,32)(H,29,34)/t15-,23-/m1/s1
InChIKeyXMUWWDCZBPPVEO-IQMFZBJNSA-N
MW496.53 g/mol
LogP3.62
Rot. Bonds4

About N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 41236325) has the molecular formula C24H31F3N4O4 and a molecular weight of 496.53 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID41236325
Molecular FormulaC24H31F3N4O4
Molecular Weight496.53 g/mol
Exact Mass496.23
IUPAC NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESC[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C2=O
InChIInChI=1S/C24H31F3N4O4/c1-15-11-22(2,3)14-23(12-15)20(33)31(21(34)29-23)13-19(32)28-17-10-16(24(25,26)27)4-5-18(17)30-6-8-35-9-7-30/h4-5,10,15H,6-9,11-14H2,1-3H3,(H,28,32)(H,29,34)/t15-,23-/m1/s1
InChIKeyXMUWWDCZBPPVEO-IQMFZBJNSA-N
XLogP3.62
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.53
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide with MolForge

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Related Compounds

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 5-morpholin-4-yl-2-[[2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate
CID 55514605
N-(2-piperidin-1-ylphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 25333245
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
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 40798579
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 56542629
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 43008246
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55520882
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 38713084
N-(2-ethylphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7923789
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

Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 41236325) is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)C2=O.
What is the InChIKey of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is XMUWWDCZBPPVEO-IQMFZBJNSA-N. The full InChI is InChI=1S/C24H31F3N4O4/c1-15-11-22(2,3)14-23(12-15)20(33)31(21(34)29-23)13-19(32)28-17-10-16(24(25,26)27)4-5-18(17)30-6-8-35-9-7-30/h4-5,10,15H,6-9,11-14H2,1-3H3,(H,28,32)(H,29,34)/t15-,23-/m1/s1.
What are the key properties of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 496.53 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 41236325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).