(4-tert-butylphenyl)methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

C22H30N2O4 — CID 55367183

IUPAC(4-tert-butylphenyl)methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCN1C(=O)N(CC(=O)OCc2ccc(C(C)(C)C)cc2)C(=O)C12CCCCC2
InChIInChI=1S/C22H30N2O4/c1-21(2,3)17-10-8-16(9-11-17)15-28-18(25)14-24-19(26)22(23(4)20(24)27)12-6-5-7-13-22/h8-11H,5-7,12-15H2,1-4H3
InChIKeyVHUUOZSJQLXLDS-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.62
Rot. Bonds4

About (4-tert-butylphenyl)methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

(4-tert-butylphenyl)methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (PubChem CID 55367183) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is (4-tert-butylphenyl)methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

Compound Name(4-tert-butylphenyl)methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
PubChem CID55367183
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name(4-tert-butylphenyl)methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCN1C(=O)N(CC(=O)OCc2ccc(C(C)(C)C)cc2)C(=O)C12CCCCC2
InChIInChI=1S/C22H30N2O4/c1-21(2,3)17-10-8-16(9-11-17)15-28-18(25)14-24-19(26)22(23(4)20(24)27)12-6-5-7-13-22/h8-11H,5-7,12-15H2,1-4H3
InChIKeyVHUUOZSJQLXLDS-UHFFFAOYSA-N
XLogP3.62
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl)acetate
CID 53388993
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 9064513
[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55402455
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55553032
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39509040
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4793877
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 35206540
ethyl N-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]carbamate
CID 7850188
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55367067
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 8586891
[2-(3-acetylanilino)-2-oxoethyl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 31677823
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 31679181

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The IUPAC name of (4-tert-butylphenyl)methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (CID 55367183) is (4-tert-butylphenyl)methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.
What is the SMILES notation for (4-tert-butylphenyl)methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The canonical SMILES for (4-tert-butylphenyl)methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is CN1C(=O)N(CC(=O)OCc2ccc(C(C)(C)C)cc2)C(=O)C12CCCCC2.
What is the InChIKey of (4-tert-butylphenyl)methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The InChIKey is VHUUOZSJQLXLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-21(2,3)17-10-8-16(9-11-17)15-28-18(25)14-24-19(26)22(23(4)20(24)27)12-6-5-7-13-22/h8-11H,5-7,12-15H2,1-4H3.
What are the key properties of (4-tert-butylphenyl)methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
(4-tert-butylphenyl)methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 386.49 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)methyl 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 55367183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).