2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

C19H22F3N3O5 — CID 71685389

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)NCC(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H22F3N3O5/c20-19(21,22)30-13-6-4-12(5-7-13)14(26)10-23-15(27)11-25-16(28)18(24-17(25)29)8-2-1-3-9-18/h4-7,14,26H,1-3,8-11H2,(H,23,27)(H,24,29)
InChIKeyHKWKDHUATKSJHA-UHFFFAOYSA-N
MW429.40 g/mol
LogP1.99
Rot. Bonds6

About 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (PubChem CID 71685389) has the molecular formula C19H22F3N3O5 and a molecular weight of 429.40 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
PubChem CID71685389
Molecular FormulaC19H22F3N3O5
Molecular Weight429.40 g/mol
Exact Mass429.15
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESO=C(CN1C(=O)NC2(CCCCC2)C1=O)NCC(O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H22F3N3O5/c20-19(21,22)30-13-6-4-12(5-7-13)14(26)10-23-15(27)11-25-16(28)18(24-17(25)29)8-2-1-3-9-18/h4-7,14,26H,1-3,8-11H2,(H,23,27)(H,24,29)
InChIKeyHKWKDHUATKSJHA-UHFFFAOYSA-N
XLogP1.99
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 94385017
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711300
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 7609905
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 2711629
N-[4-(difluoromethoxy)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2409969
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 31286642
3-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 94385012
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(3,3-diphenylpropyl)acetamide
CID 47093726
2-(2,4-dioxo-8-oxa-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide
CID 155965435
2-(4-bromophenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 49089872
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide
CID 7610006
N-[2-(4-tert-butylphenoxy)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 9261679

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (CID 71685389) is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCC(O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The InChIKey is HKWKDHUATKSJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O5/c20-19(21,22)30-13-6-4-12(5-7-13)14(26)10-23-15(27)11-25-16(28)18(24-17(25)29)8-2-1-3-9-18/h4-7,14,26H,1-3,8-11H2,(H,23,27)(H,24,29).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide has a molecular weight of 429.40 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 71685389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).