N-benzyl-N-ethyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide

C17H21N3O4 — CID 7652439

IUPACN-benzyl-N-ethyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1C(=O)C(=O)N(C(C)C)C1=O
InChIInChI=1S/C17H21N3O4/c1-4-18(10-13-8-6-5-7-9-13)14(21)11-19-15(22)16(23)20(12(2)3)17(19)24/h5-9,12H,4,10-11H2,1-3H3
InChIKeyYASFSBIZEDHPNN-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.23
Rot. Bonds6

About N-benzyl-N-ethyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide

N-benzyl-N-ethyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide (PubChem CID 7652439) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
PubChem CID7652439
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-benzyl-N-ethyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)CN1C(=O)C(=O)N(C(C)C)C1=O
InChIInChI=1S/C17H21N3O4/c1-4-18(10-13-8-6-5-7-9-13)14(21)11-19-15(22)16(23)20(12(2)3)17(19)24/h5-9,12H,4,10-11H2,1-3H3
InChIKeyYASFSBIZEDHPNN-UHFFFAOYSA-N
XLogP1.23
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[(4-methylphenyl)methyl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7652417
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 7652415
N-ethyl-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 9341883
N-methyl-N-(1-phenylethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 56809949
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9072690
N-benzyl-N-(2-phenylethyl)-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8626273
N-benzyl-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-ethylacetamide
CID 7610491
2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-N-(furan-2-ylmethyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8888860
N-benzyl-N-ethyl-2-(1,1,3-trioxo-2-phenyl-1λ6,2,4-benzothiadiazin-4-yl)acetamide
CID 122245031
N-(3-aminopropyl)-N-benzyl-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 120648313

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide (CID 7652439) is N-benzyl-N-ethyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide is CCN(Cc1ccccc1)C(=O)CN1C(=O)C(=O)N(C(C)C)C1=O.
What is the InChIKey of N-benzyl-N-ethyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
The InChIKey is YASFSBIZEDHPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-4-18(10-13-8-6-5-7-9-13)14(21)11-19-15(22)16(23)20(12(2)3)17(19)24/h5-9,12H,4,10-11H2,1-3H3.
What are the key properties of N-benzyl-N-ethyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide?
N-benzyl-N-ethyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide has a molecular weight of 331.37 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 7652439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).