N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethylacetamide

C21H27N5O5 — CID 24687223

IUPACN-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethylacetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C21H27N5O5/c1-3-25(12-17(28)23-16-8-6-15(7-9-16)22-14(2)27)18(29)13-26-19(30)21(24-20(26)31)10-4-5-11-21/h6-9H,3-5,10-13H2,1-2H3,(H,22,27)(H,23,28)(H,24,31)
InChIKeyCQKYBIJBZPEGNE-UHFFFAOYSA-N
MW429.48 g/mol
LogP1.30
Rot. Bonds7

About N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethylacetamide

N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethylacetamide (PubChem CID 24687223) has the molecular formula C21H27N5O5 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethylacetamide
PubChem CID24687223
Molecular FormulaC21H27N5O5
Molecular Weight429.48 g/mol
Exact Mass429.20
IUPAC NameN-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethylacetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C21H27N5O5/c1-3-25(12-17(28)23-16-8-6-15(7-9-16)22-14(2)27)18(29)13-26-19(30)21(24-20(26)31)10-4-5-11-21/h6-9H,3-5,10-13H2,1-2H3,(H,22,27)(H,23,28)(H,24,31)
InChIKeyCQKYBIJBZPEGNE-UHFFFAOYSA-N
XLogP1.30
TPSA127.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-sulfamoylphenyl)acetamide
CID 138393379
2-(2,5-dioxoimidazolidin-1-yl)-N-(p-tolyl)acetamide
CID 2162395
2-(2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-N-(4-fluorophenyl)acetamide
CID 2078174
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
2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 3909305
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-nitrophenyl)acetamide
CID 3976162
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide
CID 4555282
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
N-(2-cyanophenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4789736
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 4964169

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethylacetamide?
The IUPAC name of N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethylacetamide (CID 24687223) is N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethylacetamide.
What is the SMILES notation for N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethylacetamide?
The canonical SMILES for N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethylacetamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethylacetamide?
The InChIKey is CQKYBIJBZPEGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O5/c1-3-25(12-17(28)23-16-8-6-15(7-9-16)22-14(2)27)18(29)13-26-19(30)21(24-20(26)31)10-4-5-11-21/h6-9H,3-5,10-13H2,1-2H3,(H,22,27)(H,23,28)(H,24,31).
What are the key properties of N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethylacetamide?
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethylacetamide has a molecular weight of 429.48 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethylacetamide is sourced from PubChem (CID 24687223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).