N-ethyl-1-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]cyclohexane-1-carboxamide

C21H34N4O4 — CID 55968177

IUPACN-ethyl-1-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]cyclohexane-1-carboxamide
SMILESCCNC(=O)C1(NC(=O)CN2C(=O)NC3(CCC(CC)CC3)C2=O)CCCCC1
InChIInChI=1S/C21H34N4O4/c1-3-15-8-12-21(13-9-15)18(28)25(19(29)24-21)14-16(26)23-20(17(27)22-4-2)10-6-5-7-11-20/h15H,3-14H2,1-2H3,(H,22,27)(H,23,26)(H,24,29)
InChIKeyWDBZYBFMIHZWEP-UHFFFAOYSA-N
MW406.53 g/mol
LogP1.83
Rot. Bonds6

About N-ethyl-1-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]cyclohexane-1-carboxamide

N-ethyl-1-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]cyclohexane-1-carboxamide (PubChem CID 55968177) has the molecular formula C21H34N4O4 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-ethyl-1-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]cyclohexane-1-carboxamide
PubChem CID55968177
Molecular FormulaC21H34N4O4
Molecular Weight406.53 g/mol
Exact Mass406.26
IUPAC NameN-ethyl-1-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]cyclohexane-1-carboxamide
SMILESCCNC(=O)C1(NC(=O)CN2C(=O)NC3(CCC(CC)CC3)C2=O)CCCCC1
InChIInChI=1S/C21H34N4O4/c1-3-15-8-12-21(13-9-15)18(28)25(19(29)24-21)14-16(26)23-20(17(27)22-4-2)10-6-5-7-11-20/h15H,3-14H2,1-2H3,(H,22,27)(H,23,26)(H,24,29)
InChIKeyWDBZYBFMIHZWEP-UHFFFAOYSA-N
XLogP1.83
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119627267
N-[(4-chlorophenyl)methyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2425457
4-[[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzoic acid
CID 119346035
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7180891
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180879
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2R)-2-(hydroxymethyl)cyclopentyl]acetamide
CID 96540121
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 40748938
3-(3,3-dimethyl-2-oxobutyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7180920
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-propylacetamide
CID 7610006
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 55460877
N,N-diethyl-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180872
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51266020

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of N-ethyl-1-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]cyclohexane-1-carboxamide (CID 55968177) is N-ethyl-1-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-ethyl-1-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-ethyl-1-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]cyclohexane-1-carboxamide is CCNC(=O)C1(NC(=O)CN2C(=O)NC3(CCC(CC)CC3)C2=O)CCCCC1.
What is the InChIKey of N-ethyl-1-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]cyclohexane-1-carboxamide?
The InChIKey is WDBZYBFMIHZWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O4/c1-3-15-8-12-21(13-9-15)18(28)25(19(29)24-21)14-16(26)23-20(17(27)22-4-2)10-6-5-7-11-20/h15H,3-14H2,1-2H3,(H,22,27)(H,23,26)(H,24,29).
What are the key properties of N-ethyl-1-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]cyclohexane-1-carboxamide?
N-ethyl-1-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]cyclohexane-1-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 55968177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).