N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide

C21H29N3O4 — CID 27802433

IUPACN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O
InChIInChI=1S/C21H29N3O4/c1-13(2)16-6-5-15(4)17(11-16)28-12-18(25)23-24-19(26)21(22-20(24)27)9-7-14(3)8-10-21/h5-6,11,13-14H,7-10,12H2,1-4H3,(H,22,27)(H,23,25)
InChIKeyCYWJICRRUPBJGV-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.03
Rot. Bonds5

About N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide (PubChem CID 27802433) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
PubChem CID27802433
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC NameN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O
InChIInChI=1S/C21H29N3O4/c1-13(2)16-6-5-15(4)17(11-16)28-12-18(25)23-24-19(26)21(22-20(24)27)9-7-14(3)8-10-21/h5-6,11,13-14H,7-10,12H2,1-4H3,(H,22,27)(H,23,25)
InChIKeyCYWJICRRUPBJGV-UHFFFAOYSA-N
XLogP3.03
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 7382167
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8918362
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840553
2-(2-methyl-5-propan-2-ylphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 51203865
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658691
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55928321
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate
CID 55326752
2-O-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 30203859
2-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 78906214
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide
CID 45355784
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide
CID 45281463
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7488860

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide (CID 27802433) is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)cc1OCC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O.
What is the InChIKey of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
The InChIKey is CYWJICRRUPBJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-13(2)16-6-5-15(4)17(11-16)28-12-18(25)23-24-19(26)21(22-20(24)27)9-7-14(3)8-10-21/h5-6,11,13-14H,7-10,12H2,1-4H3,(H,22,27)(H,23,25).
What are the key properties of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide has a molecular weight of 387.48 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 27802433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).