2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide

C26H36N4O5 — CID 55748943

IUPAC2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(C(=O)N3CCOCC3)c1)C2=O
InChIInChI=1S/C26H36N4O5/c1-4-25(2,3)19-8-10-26(11-9-19)23(33)30(24(34)28-26)17-21(31)27-20-7-5-6-18(16-20)22(32)29-12-14-35-15-13-29/h5-7,16,19H,4,8-15,17H2,1-3H3,(H,27,31)(H,28,34)
InChIKeyONUPCLNLGYHFEA-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.01
Rot. Bonds6

About 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide

2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide (PubChem CID 55748943) has the molecular formula C26H36N4O5 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
PubChem CID55748943
Molecular FormulaC26H36N4O5
Molecular Weight484.60 g/mol
Exact Mass484.27
IUPAC Name2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(C(=O)N3CCOCC3)c1)C2=O
InChIInChI=1S/C26H36N4O5/c1-4-25(2,3)19-8-10-26(11-9-19)23(33)30(24(34)28-26)17-21(31)27-20-7-5-6-18(16-20)22(32)29-12-14-35-15-13-29/h5-7,16,19H,4,8-15,17H2,1-3H3,(H,27,31)(H,28,34)
InChIKeyONUPCLNLGYHFEA-UHFFFAOYSA-N
XLogP3.01
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.01
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-[3-(methanesulfonamido)phenyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 30830922
N-(4-chlorophenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2116042
N-(4-ethylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 42987246
N-(4-bromo-3-methylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 4799017
N-(2,3-dihydro-1H-inden-5-yl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 42987842
N-(4-ethoxyphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 42987168
N-(2,5-dimethylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 84601209
1-[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 31732135
2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2471932
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36947132
2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-quinolin-2-ylacetamide
CID 46654985
methyl 2-hydroxy-3-[[2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]benzoate
CID 56543356

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide (CID 55748943) is 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide is CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(C(=O)N3CCOCC3)c1)C2=O.
What is the InChIKey of 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is ONUPCLNLGYHFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O5/c1-4-25(2,3)19-8-10-26(11-9-19)23(33)30(24(34)28-26)17-21(31)27-20-7-5-6-18(16-20)22(32)29-12-14-35-15-13-29/h5-7,16,19H,4,8-15,17H2,1-3H3,(H,27,31)(H,28,34).
What are the key properties of 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide?
2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 484.60 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 55748943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).