N-[2-[4-[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]phenyl]ethyl]acetamide

C18H21N3O5 — CID 9397620

IUPACN-[2-[4-[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1
InChIInChI=1S/C18H21N3O5/c1-11(2)21-17(25)16(24)20(18(21)26)10-15(23)14-6-4-13(5-7-14)8-9-19-12(3)22/h4-7,11H,8-10H2,1-3H3,(H,19,22)
InChIKeyDZXOXSWJPKUSNH-UHFFFAOYSA-N
MW359.38 g/mol
LogP0.75
Rot. Bonds7

About N-[2-[4-[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]phenyl]ethyl]acetamide

N-[2-[4-[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]phenyl]ethyl]acetamide (PubChem CID 9397620) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[2-[4-[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]phenyl]ethyl]acetamide
PubChem CID9397620
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC NameN-[2-[4-[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1
InChIInChI=1S/C18H21N3O5/c1-11(2)21-17(25)16(24)20(18(21)26)10-15(23)14-6-4-13(5-7-14)8-9-19-12(3)22/h4-7,11H,8-10H2,1-3H3,(H,19,22)
InChIKeyDZXOXSWJPKUSNH-UHFFFAOYSA-N
XLogP0.75
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[4-[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]phenyl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-[2-[3-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]phenyl]ethyl]acetamide
CID 17488661
N-[2-[4-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]phenyl]ethyl]acetamide
CID 9438825
1-[2-(4-ethylphenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
CID 2574464
1-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 7975596
N-[2-[4-(cyclopropanecarbonyl)phenyl]ethyl]acetamide
CID 20803106
N-(2-methylpropyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 9375291
N-[2-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]ethyl]acetamide
CID 38906488
N-(2-methoxyethyl)-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 9375273
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
N-[(2R)-3-methylbutan-2-yl]-2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetamide
CID 9375311
N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide
CID 142872622
1-benzyl-3-[2-(4-butylphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7820036

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]phenyl]ethyl]acetamide (CID 9397620) is N-[2-[4-[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(C(=O)CN2C(=O)C(=O)N(C(C)C)C2=O)cc1.
What is the InChIKey of N-[2-[4-[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]phenyl]ethyl]acetamide?
The InChIKey is DZXOXSWJPKUSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-11(2)21-17(25)16(24)20(18(21)26)10-15(23)14-6-4-13(5-7-14)8-9-19-12(3)22/h4-7,11H,8-10H2,1-3H3,(H,19,22).
What are the key properties of N-[2-[4-[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]phenyl]ethyl]acetamide?
N-[2-[4-[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]phenyl]ethyl]acetamide has a molecular weight of 359.38 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(2,4,5-trioxo-3-propan-2-ylimidazolidin-1-yl)acetyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 9397620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).