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

C20H27N3O6 — CID 24545817

IUPACN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c(OC)c1OC
InChIInChI=1S/C20H27N3O6/c1-12-7-9-20(10-8-12)18(25)23(19(26)21-20)22-15(24)11-13-5-6-14(27-2)17(29-4)16(13)28-3/h5-6,12H,7-11H2,1-4H3,(H,21,26)(H,22,24)
InChIKeyZWAHGRRCKOFJJB-UHFFFAOYSA-N
MW405.45 g/mol
LogP1.79
Rot. Bonds6

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

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2,3,4-trimethoxyphenyl)acetamide (PubChem CID 24545817) has the molecular formula C20H27N3O6 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2,3,4-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2,3,4-trimethoxyphenyl)acetamide
PubChem CID24545817
Molecular FormulaC20H27N3O6
Molecular Weight405.45 g/mol
Exact Mass405.19
IUPAC NameN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c(OC)c1OC
InChIInChI=1S/C20H27N3O6/c1-12-7-9-20(10-8-12)18(25)23(19(26)21-20)22-15(24)11-13-5-6-14(27-2)17(29-4)16(13)28-3/h5-6,12H,7-11H2,1-4H3,(H,21,26)(H,22,24)
InChIKeyZWAHGRRCKOFJJB-UHFFFAOYSA-N
XLogP1.79
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 27802772
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-phenylphenyl)acetamide
CID 27802749
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011692
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 17444005
N-(4-methylpiperazin-4-ium-1-yl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9075264
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 7382167
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7488860
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 8503480
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 8759918
2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24558559
4-(4-ethoxyphenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-oxobutanamide
CID 16573967
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-methylanilino)acetamide
CID 27056892

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2,3,4-trimethoxyphenyl)acetamide?
The IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2,3,4-trimethoxyphenyl)acetamide (CID 24545817) is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2,3,4-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2,3,4-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2,3,4-trimethoxyphenyl)acetamide is COc1ccc(CC(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c(OC)c1OC.
What is the InChIKey of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2,3,4-trimethoxyphenyl)acetamide?
The InChIKey is ZWAHGRRCKOFJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O6/c1-12-7-9-20(10-8-12)18(25)23(19(26)21-20)22-15(24)11-13-5-6-14(27-2)17(29-4)16(13)28-3/h5-6,12H,7-11H2,1-4H3,(H,21,26)(H,22,24).
What are the key properties of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2,3,4-trimethoxyphenyl)acetamide?
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2,3,4-trimethoxyphenyl)acetamide has a molecular weight of 405.45 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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-(2,3,4-trimethoxyphenyl)acetamide is sourced from PubChem (CID 24545817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).