N-(1-ethylindazol-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C20H25N5O3 — CID 136579576

IUPACN-(1-ethylindazol-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCn1ncc2ccc(NC(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)cc21
InChIInChI=1S/C20H25N5O3/c1-3-25-16-10-15(5-4-14(16)11-21-25)22-17(26)12-24-18(27)20(23-19(24)28)8-6-13(2)7-9-20/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyHQLPENNYKAKGBU-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.50
Rot. Bonds4

About N-(1-ethylindazol-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(1-ethylindazol-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 136579576) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-(1-ethylindazol-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-ethylindazol-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID136579576
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-(1-ethylindazol-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCn1ncc2ccc(NC(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)cc21
InChIInChI=1S/C20H25N5O3/c1-3-25-16-10-15(5-4-14(16)11-21-25)22-17(26)12-24-18(27)20(23-19(24)28)8-6-13(2)7-9-20/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,22,26)(H,23,28)
InChIKeyHQLPENNYKAKGBU-UHFFFAOYSA-N
XLogP2.50
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate
CID 55805969
N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4804356
N-[4-[(2R)-butan-2-yl]phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7240735
methyl 2-chloro-5-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate
CID 55556134
N-(4-fluorophenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 2578408
N-(1-ethylbenzimidazol-2-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 134044696
N-(4-bromophenyl)-2-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]acetamide
CID 55879382
N-[3-(diethylsulfamoyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3899374
N-(1-ethylindazol-6-yl)-2-(methylamino)acetamide;hydrochloride
CID 119752857
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 2085218
N-(6-amino-3-pyridinyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 119515474
N-[3-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 55510760

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylindazol-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(1-ethylindazol-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 136579576) is N-(1-ethylindazol-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(1-ethylindazol-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(1-ethylindazol-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CCn1ncc2ccc(NC(=O)CN3C(=O)NC4(CCC(C)CC4)C3=O)cc21.
What is the InChIKey of N-(1-ethylindazol-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is HQLPENNYKAKGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-3-25-16-10-15(5-4-14(16)11-21-25)22-17(26)12-24-18(27)20(23-19(24)28)8-6-13(2)7-9-20/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,22,26)(H,23,28).
What are the key properties of N-(1-ethylindazol-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(1-ethylindazol-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 383.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylindazol-6-yl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 136579576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).