5-acetyl-1-cyclopropyl-5-methyl-3-phenyl-1,3-diazinane-2,4,6-trione

C16H16N2O4 — CID 67910634

IUPAC5-acetyl-1-cyclopropyl-5-methyl-3-phenyl-1,3-diazinane-2,4,6-trione
SMILESCC(=O)C1(C)C(=O)N(c2ccccc2)C(=O)N(C2CC2)C1=O
InChIInChI=1S/C16H16N2O4/c1-10(19)16(2)13(20)17(11-6-4-3-5-7-11)15(22)18(14(16)21)12-8-9-12/h3-7,12H,8-9H2,1-2H3
InChIKeyIADJCMBEDCZXTB-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.74
Rot. Bonds3

About 5-acetyl-1-cyclopropyl-5-methyl-3-phenyl-1,3-diazinane-2,4,6-trione

5-acetyl-1-cyclopropyl-5-methyl-3-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 67910634) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 5-acetyl-1-cyclopropyl-5-methyl-3-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-acetyl-1-cyclopropyl-5-methyl-3-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID67910634
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name5-acetyl-1-cyclopropyl-5-methyl-3-phenyl-1,3-diazinane-2,4,6-trione
SMILESCC(=O)C1(C)C(=O)N(c2ccccc2)C(=O)N(C2CC2)C1=O
InChIInChI=1S/C16H16N2O4/c1-10(19)16(2)13(20)17(11-6-4-3-5-7-11)15(22)18(14(16)21)12-8-9-12/h3-7,12H,8-9H2,1-2H3
InChIKeyIADJCMBEDCZXTB-UHFFFAOYSA-N
XLogP1.74
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-acetyl-1-cyclopropyl-5-methyl-3-phenyl-1,3-diazinane-2,4,6-trione 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

1-cyclohexyl-5-ethyl-3-phenyl-1,3-diazinane-2,4,6-trione
CID 13968
(5S)-1,3,5-triphenylimidazolidine-2,4-dione
CID 154708380
3-cyclopropyl-1-phenylimidazolidine-2,4-dione
CID 62700804
(2Z)-2-(3-cyclohexyl-2,5-dioxo-1-phenylimidazolidin-4-ylidene)-2-phenylacetamide
CID 70610780
2-phenyl-5-propan-2-ylidene-3a,4,6,6a-tetrahydrocyclopenta[c]pyrrole-1,3-dione
CID 620418
(1aR,2aR,5aS,6aS)-1a,6a-dimethyl-4-phenyl-2,2a,5a,6-tetrahydrooxireno[2,3-f]isoindole-3,5-dione
CID 10564037
1-[(4S)-1-cyclohexyl-5,5-dimethyl-2-oxo-3-phenylimidazolidin-4-yl]-1-hydroxy-3-phenylurea
CID 7361016
(5S)-3-phenyl-1-propanoyl-5-propan-2-ylimidazolidine-2,4-dione
CID 102306788
2-acetyl-4-phenyl-1,4-benzoxazin-3-one
CID 69191965
5-acetyl-1-methyl-5-pentyl-3-phenyl-1,3-diazinane-2,4,6-trione
CID 67915378
3-acetyl-1,4-diphenylazetidin-2-one
CID 12575792
(3aR,4S,7S,7aS)-2,4,7-triphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 100871293

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-cyclopropyl-5-methyl-3-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-acetyl-1-cyclopropyl-5-methyl-3-phenyl-1,3-diazinane-2,4,6-trione (CID 67910634) is 5-acetyl-1-cyclopropyl-5-methyl-3-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-acetyl-1-cyclopropyl-5-methyl-3-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-acetyl-1-cyclopropyl-5-methyl-3-phenyl-1,3-diazinane-2,4,6-trione is CC(=O)C1(C)C(=O)N(c2ccccc2)C(=O)N(C2CC2)C1=O.
What is the InChIKey of 5-acetyl-1-cyclopropyl-5-methyl-3-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is IADJCMBEDCZXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-10(19)16(2)13(20)17(11-6-4-3-5-7-11)15(22)18(14(16)21)12-8-9-12/h3-7,12H,8-9H2,1-2H3.
What are the key properties of 5-acetyl-1-cyclopropyl-5-methyl-3-phenyl-1,3-diazinane-2,4,6-trione?
5-acetyl-1-cyclopropyl-5-methyl-3-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 300.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-cyclopropyl-5-methyl-3-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 67910634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).