N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C20H25F3N4O3 — CID 43068422

IUPACN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCN(C)c1ccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c(C(F)(F)F)c1
InChIInChI=1S/C20H25F3N4O3/c1-25(2)13-7-8-15(14(11-13)20(21,22)23)24-16(28)12-27-17(29)19(26(3)18(27)30)9-5-4-6-10-19/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,24,28)
InChIKeyUJLAQCKIHLYDDO-UHFFFAOYSA-N
MW426.44 g/mol
LogP3.31
Rot. Bonds4

About N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 43068422) has the molecular formula C20H25F3N4O3 and a molecular weight of 426.44 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID43068422
Molecular FormulaC20H25F3N4O3
Molecular Weight426.44 g/mol
Exact Mass426.19
IUPAC NameN-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCN(C)c1ccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c(C(F)(F)F)c1
InChIInChI=1S/C20H25F3N4O3/c1-25(2)13-7-8-15(14(11-13)20(21,22)23)24-16(28)12-27-17(29)19(26(3)18(27)30)9-5-4-6-10-19/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,24,28)
InChIKeyUJLAQCKIHLYDDO-UHFFFAOYSA-N
XLogP3.31
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 53.31
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

2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4793877
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
CID 43068398
N-(2,5-dimethylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850304
N-[4-(diethylamino)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 34947284
N-(3,4-difluorophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850253
N-(3,5-dichlorophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850278
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3,4,5-trifluorophenyl)acetamide
CID 56761630
N-(2-fluoro-5-methylsulfonylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 31931110
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51251681
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)acetamide
CID 55887302
N-(3-fluoro-4-methylphenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 26685423
N-(3-acetamidophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850065

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 43068422) is N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CN(C)c1ccc(NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is UJLAQCKIHLYDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O3/c1-25(2)13-7-8-15(14(11-13)20(21,22)23)24-16(28)12-27-17(29)19(26(3)18(27)30)9-5-4-6-10-19/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,24,28).
What are the key properties of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 426.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 43068422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).