N-(5-bromo-2-morpholin-4-ylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C22H29BrN4O4 — CID 55371502

IUPACN-(5-bromo-2-morpholin-4-ylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(Br)ccc1N1CCOCC1)C2=O
InChIInChI=1S/C22H29BrN4O4/c1-2-15-5-7-22(8-6-15)20(29)27(21(30)25-22)14-19(28)24-17-13-16(23)3-4-18(17)26-9-11-31-12-10-26/h3-4,13,15H,2,5-12,14H2,1H3,(H,24,28)(H,25,30)
InChIKeyZXUWJNIMFNNIPC-UHFFFAOYSA-N
MW493.40 g/mol
LogP3.12
Rot. Bonds5

About N-(5-bromo-2-morpholin-4-ylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(5-bromo-2-morpholin-4-ylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 55371502) has the molecular formula C22H29BrN4O4 and a molecular weight of 493.40 g/mol. Its IUPAC name is N-(5-bromo-2-morpholin-4-ylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-morpholin-4-ylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID55371502
Molecular FormulaC22H29BrN4O4
Molecular Weight493.40 g/mol
Exact Mass492.14
IUPAC NameN-(5-bromo-2-morpholin-4-ylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(Br)ccc1N1CCOCC1)C2=O
InChIInChI=1S/C22H29BrN4O4/c1-2-15-5-7-22(8-6-15)20(29)27(21(30)25-22)14-19(28)24-17-13-16(23)3-4-18(17)26-9-11-31-12-10-26/h3-4,13,15H,2,5-12,14H2,1H3,(H,24,28)(H,25,30)
InChIKeyZXUWJNIMFNNIPC-UHFFFAOYSA-N
XLogP3.12
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.40
LogP ≤ 53.12
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

N-(2-chlorophenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180932
N-(4-chloro-2-methylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180827
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 3297392
N-(6-amino-1,3-benzodioxol-5-yl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119618318
3-[2-(4-bromophenyl)-2-oxoethyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7264317
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(methylamino)acetamide
CID 119833776
N-(4-bromo-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701816
2-[[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 55612985
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyridin-2-ylacetamide
CID 51266020
[1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55311708
N'-[2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 55454915
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41236325

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(5-bromo-2-morpholin-4-ylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 55371502) is N-(5-bromo-2-morpholin-4-ylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(5-bromo-2-morpholin-4-ylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(5-bromo-2-morpholin-4-ylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(Br)ccc1N1CCOCC1)C2=O.
What is the InChIKey of N-(5-bromo-2-morpholin-4-ylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is ZXUWJNIMFNNIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29BrN4O4/c1-2-15-5-7-22(8-6-15)20(29)27(21(30)25-22)14-19(28)24-17-13-16(23)3-4-18(17)26-9-11-31-12-10-26/h3-4,13,15H,2,5-12,14H2,1H3,(H,24,28)(H,25,30).
What are the key properties of N-(5-bromo-2-morpholin-4-ylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 493.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-morpholin-4-ylphenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 55371502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).