2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride

C20H35ClN4O3 — CID 119534048

IUPAC2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCC1CCNC1)C2=O.Cl
InChIInChI=1S/C20H34N4O3.ClH/c1-19(2,3)15-4-8-20(9-5-15)17(26)24(18(27)23-20)13-16(25)22-11-7-14-6-10-21-12-14;/h14-15,21H,4-13H2,1-3H3,(H,22,25)(H,23,27);1H
InChIKeyYBAKRKNHVUYSNC-UHFFFAOYSA-N
MW414.98 g/mol
LogP2.05
Rot. Bonds5

About 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride

2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride (PubChem CID 119534048) has the molecular formula C20H35ClN4O3 and a molecular weight of 414.98 g/mol. Its IUPAC name is 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
PubChem CID119534048
Molecular FormulaC20H35ClN4O3
Molecular Weight414.98 g/mol
Exact Mass414.24
IUPAC Name2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
SMILESCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCC1CCNC1)C2=O.Cl
InChIInChI=1S/C20H34N4O3.ClH/c1-19(2,3)15-4-8-20(9-5-15)17(26)24(18(27)23-20)13-16(25)22-11-7-14-6-10-21-12-14;/h14-15,21H,4-13H2,1-3H3,(H,22,25)(H,23,27);1H
InChIKeyYBAKRKNHVUYSNC-UHFFFAOYSA-N
XLogP2.05
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.98
LogP ≤ 52.05
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-pyrrolidin-3-ylethyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide;hydrochloride
CID 119536748
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylpiperidin-4-yl)acetamide
CID 120557707
2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119461326
N-(2-aminoethyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide;hydrochloride
CID 119383121
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119559360
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-ethylhexyl)acetamide
CID 55374449
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 36714303
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
CID 86951518
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 36806139
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 46423191
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]acetamide
CID 55972396
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 36820556

Frequently Asked Questions

What is the IUPAC name of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride (CID 119534048) is 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride is CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCC1CCNC1)C2=O.Cl.
What is the InChIKey of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
The InChIKey is YBAKRKNHVUYSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3.ClH/c1-19(2,3)15-4-8-20(9-5-15)17(26)24(18(27)23-20)13-16(25)22-11-7-14-6-10-21-12-14;/h14-15,21H,4-13H2,1-3H3,(H,22,25)(H,23,27);1H.
What are the key properties of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride?
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride has a molecular weight of 414.98 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 119534048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).