N-(2-acetylphenyl)-2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

C16H15N3O5 — CID 39920728

IUPACN-(2-acetylphenyl)-2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1C(=O)C(=O)N(C2CC2)C1=O
InChIInChI=1S/C16H15N3O5/c1-9(20)11-4-2-3-5-12(11)17-13(21)8-18-14(22)15(23)19(16(18)24)10-6-7-10/h2-5,10H,6-8H2,1H3,(H,17,21)
InChIKeyJLVRZQZNYPSGLV-UHFFFAOYSA-N
MW329.31 g/mol
LogP0.78
Rot. Bonds5

About N-(2-acetylphenyl)-2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)acetamide

N-(2-acetylphenyl)-2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (PubChem CID 39920728) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
PubChem CID39920728
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-(2-acetylphenyl)-2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
SMILESCC(=O)c1ccccc1NC(=O)CN1C(=O)C(=O)N(C2CC2)C1=O
InChIInChI=1S/C16H15N3O5/c1-9(20)11-4-2-3-5-12(11)17-13(21)8-18-14(22)15(23)19(16(18)24)10-6-7-10/h2-5,10H,6-8H2,1H3,(H,17,21)
InChIKeyJLVRZQZNYPSGLV-UHFFFAOYSA-N
XLogP0.78
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 50.78
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'}

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Related Compounds

N-(2-benzoylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 7756202
2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-phenoxyphenyl)acetamide
CID 39920760
2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 39965678
ethyl 2-[[2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 7800605
N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106672145
2-[[2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 40842843
N-(2-bromophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 39951715
N-(4-chloro-2-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2560914
2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 7800406
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-iodophenyl)acetamide
CID 2660754
1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906608
3-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-acetylphenyl)propanamide
CID 9120134

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)acetamide (CID 39920728) is N-(2-acetylphenyl)-2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is CC(=O)c1ccccc1NC(=O)CN1C(=O)C(=O)N(C2CC2)C1=O.
What is the InChIKey of N-(2-acetylphenyl)-2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
The InChIKey is JLVRZQZNYPSGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-9(20)11-4-2-3-5-12(11)17-13(21)8-18-14(22)15(23)19(16(18)24)10-6-7-10/h2-5,10H,6-8H2,1H3,(H,17,21).
What are the key properties of N-(2-acetylphenyl)-2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)acetamide?
N-(2-acetylphenyl)-2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)acetamide has a molecular weight of 329.31 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 39920728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).