3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide

C21H32N4O2 — CID 130200865

IUPAC3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
SMILESCCNC1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C(N)=O)C(=O)N2
InChIInChI=1S/C21H32N4O2/c1-4-23-21(16-8-6-5-7-9-16)12-10-20(11-13-21)15-25(18(27)24-20)14-19(2,3)17(22)26/h5-9,23H,4,10-15H2,1-3H3,(H2,22,26)(H,24,27)
InChIKeyPKWYLMKJQPYABQ-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.34
Rot. Bonds6

About 3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide

3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide (PubChem CID 130200865) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
PubChem CID130200865
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide
SMILESCCNC1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C(N)=O)C(=O)N2
InChIInChI=1S/C21H32N4O2/c1-4-23-21(16-8-6-5-7-9-16)12-10-20(11-13-21)15-25(18(27)24-20)14-19(2,3)17(22)26/h5-9,23H,4,10-15H2,1-3H3,(H2,22,26)(H,24,27)
InChIKeyPKWYLMKJQPYABQ-UHFFFAOYSA-N
XLogP2.34
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-N-(1-methyl-1-phenylethyl)propionamide
CID 11702902
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylacetamide
CID 2091432
N-Biphenyl-2-ylmethyl-N-(S)-pyrrolidin-3-yl-propionamide
CID 11536862
US10807989, Example SC_1352
CID 130200707
US10807989, Example SC_1349
CID 130200783
1-Piperazinecarboxamide, 4-methyl-N-((5-oxo-1-(phenylmethyl)-3-pyrrolidinyl)methyl)-
CID 3025487
1-[3-(2-Oxopyrrolidin-1-yl)propyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 2326268
N-benzyl-2-[3-(2-methylbenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 3241715
N-(4-methylbenzyl)-2-[3-(4-methylbenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 3244214
2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]-N-[2-(4-methylphenyl)ethyl]acetamide
CID 3245977
2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 4017430
2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 5145663

Frequently Asked Questions

What is the IUPAC name of 3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide (CID 130200865) is 3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide is CCNC1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)C(N)=O)C(=O)N2.
What is the InChIKey of 3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
The InChIKey is PKWYLMKJQPYABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-4-23-21(16-8-6-5-7-9-16)12-10-20(11-13-21)15-25(18(27)24-20)14-19(2,3)17(22)26/h5-9,23H,4,10-15H2,1-3H3,(H2,22,26)(H,24,27).
What are the key properties of 3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide?
3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide has a molecular weight of 372.51 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 130200865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).