N-(2-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide

C21H29N3O3 — CID 2701748

IUPACN-(2-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
SMILESCC(C)(C)c1ccccc1NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O
InChIInChI=1S/C21H29N3O3/c1-20(2,3)15-10-6-7-11-16(15)22-17(25)14-24-18(26)21(23-19(24)27)12-8-4-5-9-13-21/h6-7,10-11H,4-5,8-9,12-14H2,1-3H3,(H,22,25)(H,23,27)
InChIKeyJBCLOKNAXFPEAS-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.57
Rot. Bonds3

About N-(2-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide

N-(2-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide (PubChem CID 2701748) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
PubChem CID2701748
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-(2-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
SMILESCC(C)(C)c1ccccc1NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O
InChIInChI=1S/C21H29N3O3/c1-20(2,3)15-10-6-7-11-16(15)22-17(25)14-24-18(26)21(23-19(24)27)12-8-4-5-9-13-21/h6-7,10-11H,4-5,8-9,12-14H2,1-3H3,(H,22,25)(H,23,27)
InChIKeyJBCLOKNAXFPEAS-UHFFFAOYSA-N
XLogP3.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylphenyl)-6-(5-methyl-2-oxoimidazolidin-4-yl)hexanamide
CID 4916632
2-(2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-(4-fluorophenyl)acetamide
CID 2078174
N-(cyclohexylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 2078434
N-(tert-butylcarbamoyl)-2-(2,3-dihydroindol-1-yl)acetamide
CID 2086380
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-naphthalen-1-ylacetamide
CID 2106714
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2584000
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2708827
3-[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 3606093
N-(cyclohexylcarbamoyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 3609423
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide
CID 3976162
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4690086
N-(3-fluoro-4-methylphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4694377

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide (CID 2701748) is N-(2-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide is CC(C)(C)c1ccccc1NC(=O)CN1C(=O)NC2(CCCCCC2)C1=O.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
The InChIKey is JBCLOKNAXFPEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-20(2,3)15-10-6-7-11-16(15)22-17(25)14-24-18(26)21(23-19(24)27)12-8-4-5-9-13-21/h6-7,10-11H,4-5,8-9,12-14H2,1-3H3,(H,22,25)(H,23,27).
What are the key properties of N-(2-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide?
N-(2-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide has a molecular weight of 371.48 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide is sourced from PubChem (CID 2701748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).