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

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

N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 43068400) has the molecular formula C22H29F3N4O3 and a molecular weight of 454.49 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound Name	N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID	43068400
Molecular Formula	C22H29F3N4O3
Molecular Weight	454.49 g/mol
Exact Mass	454.22
IUPAC Name	N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILES	CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F)C2=O
InChI	InChI=1S/C22H29F3N4O3/c1-13-9-20(2,3)12-21(10-13)18(31)29(19(32)27-21)11-17(30)26-16-7-6-14(28(4)5)8-15(16)22(23,24)25/h6-8,13H,9-12H2,1-5H3,(H,26,30)(H,27,32)
InChIKey	GUDFLHRXZHNIJA-UHFFFAOYSA-N
XLogP	3.85
TPSA	81.75 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.49
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The IUPAC name of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 43068400) is N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(7,7,9-trimethyl-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-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The canonical SMILES for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F)C2=O.

What is the InChIKey of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The InChIKey is GUDFLHRXZHNIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N4O3/c1-13-9-20(2,3)12-21(10-13)18(31)29(19(32)27-21)11-17(30)26-16-7-6-14(28(4)5)8-15(16)22(23,24)25/h6-8,13H,9-12H2,1-5H3,(H,26,30)(H,27,32).

What are the key properties of N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 454.49 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 43068400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).