[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

C22H27Cl2N3O5 — CID 42975477

IUPAC[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 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)C(=O)Nc1ccc(Cl)cc1Cl)C2=O
InChIInChI=1S/C22H27Cl2N3O5/c1-12-8-21(3,4)11-22(9-12)19(30)27(20(31)26-22)10-17(28)32-13(2)18(29)25-16-6-5-14(23)7-15(16)24/h5-7,12-13H,8-11H2,1-4H3,(H,25,29)(H,26,31)
InChIKeySYVIJJOWZMHGMG-UHFFFAOYSA-N
MW484.38 g/mol
LogP4.00
Rot. Bonds5

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

[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (PubChem CID 42975477) has the molecular formula C22H27Cl2N3O5 and a molecular weight of 484.38 g/mol. Its IUPAC name is [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

Compound Name[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
PubChem CID42975477
Molecular FormulaC22H27Cl2N3O5
Molecular Weight484.38 g/mol
Exact Mass483.13
IUPAC Name[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 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)C(=O)Nc1ccc(Cl)cc1Cl)C2=O
InChIInChI=1S/C22H27Cl2N3O5/c1-12-8-21(3,4)11-22(9-12)19(30)27(20(31)26-22)10-17(28)32-13(2)18(29)25-16-6-5-14(23)7-15(16)24/h5-7,12-13H,8-11H2,1-4H3,(H,25,29)(H,26,31)
InChIKeySYVIJJOWZMHGMG-UHFFFAOYSA-N
XLogP4.00
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.38
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 8565763
[1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 47094481
(3-chlorophenyl)methyl 2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7652027
[(1S)-1-cyanoethyl] 2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7651944
2-(4-chlorophenoxy)ethyl 2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7651672
[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 46624173
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 98785310
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 98785312
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
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7652165
[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821390
N-(2-ethylphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 7923789

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The IUPAC name of [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (CID 42975477) is [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.
What is the SMILES notation for [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The canonical SMILES for [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 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)C(=O)Nc1ccc(Cl)cc1Cl)C2=O.
What is the InChIKey of [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The InChIKey is SYVIJJOWZMHGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2N3O5/c1-12-8-21(3,4)11-22(9-12)19(30)27(20(31)26-22)10-17(28)32-13(2)18(29)25-16-6-5-14(23)7-15(16)24/h5-7,12-13H,8-11H2,1-4H3,(H,25,29)(H,26,31).
What are the key properties of [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 484.38 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 42975477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).