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

C20H28N4O3 — CID 26652596

IUPACN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)[C@H](C)c1ccccc1)C2=O
InChIInChI=1S/C20H28N4O3/c1-14-9-11-20(12-10-14)18(26)24(19(27)21-20)22-17(25)13-23(3)15(2)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,21,27)(H,22,25)/t14?,15-,20?/m1/s1
InChIKeyKINFNAGDIUBNPA-RDYUPDBUSA-N
MW372.47 g/mol
LogP2.21
Rot. Bonds5

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

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide (PubChem CID 26652596) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
PubChem CID26652596
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)[C@H](C)c1ccccc1)C2=O
InChIInChI=1S/C20H28N4O3/c1-14-9-11-20(12-10-14)18(26)24(19(27)21-20)22-17(25)13-23(3)15(2)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,21,27)(H,22,25)/t14?,15-,20?/m1/s1
InChIKeyKINFNAGDIUBNPA-RDYUPDBUSA-N
XLogP2.21
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.21
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

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 16566298
N-[3-[1-[methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]amino]ethyl]phenyl]benzamide
CID 46508658
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132494
benzhydryl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8596083
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-phenylphenyl)acetamide
CID 27802749
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 8905929
(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-phenylsulfanylpropanamide
CID 40810140
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(benzenesulfonamido)propanoate
CID 55326752
[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55928321
2-[benzyl(cyclopropyl)amino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 32512117
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24556938
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-(4-phenylcyclohexyl)amino]acetamide
CID 47547029

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide?
The IUPAC name of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide (CID 26652596) is N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide.
What is the SMILES notation for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide?
The canonical SMILES for N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide is CC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)[C@H](C)c1ccccc1)C2=O.
What is the InChIKey of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide?
The InChIKey is KINFNAGDIUBNPA-RDYUPDBUSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14-9-11-20(12-10-14)18(26)24(19(27)21-20)22-17(25)13-23(3)15(2)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,21,27)(H,22,25)/t14?,15-,20?/m1/s1.
What are the key properties of N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide?
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide has a molecular weight of 372.47 g/mol, XLogP of 2.21, 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-[methyl-[(1R)-1-phenylethyl]amino]acetamide is sourced from PubChem (CID 26652596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).