N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide

C20H28N4O5 — CID 16801740

IUPACN-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
SMILESCCCN1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(OC)ccc1OC)C2=O
InChIInChI=1S/C20H28N4O5/c1-4-9-23-10-7-20(8-11-23)18(26)24(19(27)22-20)13-17(25)21-15-12-14(28-2)5-6-16(15)29-3/h5-6,12H,4,7-11,13H2,1-3H3,(H,21,25)(H,22,27)
InChIKeyLBXWUHKLQVYMGI-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.44
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide

N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 16801740) has the molecular formula C20H28N4O5 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
PubChem CID16801740
Molecular FormulaC20H28N4O5
Molecular Weight404.47 g/mol
Exact Mass404.21
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide
SMILESCCCN1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(OC)ccc1OC)C2=O
InChIInChI=1S/C20H28N4O5/c1-4-9-23-10-7-20(8-11-23)18(26)24(19(27)22-20)13-17(25)21-15-12-14(28-2)5-6-16(15)29-3/h5-6,12H,4,7-11,13H2,1-3H3,(H,21,25)(H,22,27)
InChIKeyLBXWUHKLQVYMGI-UHFFFAOYSA-N
XLogP1.44
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.44
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

N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622579
N-(2,5-dimethoxyphenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581820
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 2577245
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 3962931
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
2-[(4R)-4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 41208228
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methoxyphenyl)acetamide
CID 2708830
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 2702218
N-(2-methoxyphenyl)-2-(2,4,8,8-tetraoxo-8λ6-thia-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 91892504
N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;dihydrochloride
CID 56773506
N-(2,5-dimethoxyphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132785417
N-(3,4-dimethoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622661

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide (CID 16801740) is N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide is CCCN1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(OC)ccc1OC)C2=O.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is LBXWUHKLQVYMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O5/c1-4-9-23-10-7-20(8-11-23)18(26)24(19(27)22-20)13-17(25)21-15-12-14(28-2)5-6-16(15)29-3/h5-6,12H,4,7-11,13H2,1-3H3,(H,21,25)(H,22,27).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide?
N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 404.47 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(2,4-dioxo-8-propyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 16801740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).