5-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione

C22H25N3O3 — CID 15536368

IUPAC5-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCC(C)C1(Cc2ccc(N(C)C)cc2)C(=O)NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C22H25N3O3/c1-15(2)22(14-16-10-12-17(13-11-16)24(3)4)19(26)23-21(28)25(20(22)27)18-8-6-5-7-9-18/h5-13,15H,14H2,1-4H3,(H,23,26,28)
InChIKeyAFSPCTIZPXMHCH-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.22
Rot. Bonds5

About 5-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione

5-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione (PubChem CID 15536368) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
PubChem CID15536368
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name5-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCC(C)C1(Cc2ccc(N(C)C)cc2)C(=O)NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C22H25N3O3/c1-15(2)22(14-16-10-12-17(13-11-16)24(3)4)19(26)23-21(28)25(20(22)27)18-8-6-5-7-9-18/h5-13,15H,14H2,1-4H3,(H,23,26,28)
InChIKeyAFSPCTIZPXMHCH-UHFFFAOYSA-N
XLogP3.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N,N'-((4-(dimethylamino)phenyl)methylene)bis(2-phenylacetamide)
CID 4296438
1-benzyl-3-phenyldihydro-2,4(1H,3H)-pyrimidinedione
CID 255219
Pyrimidine-2,4,6(1H,3H,5H)-trione, 1,3-di(2-tolyl)-
CID 584018
5-[4-(Diethylamino)benzyl]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2274195
3-(4-benzyl-1-piperidinyl)-N-(4-methylphenyl)propanamide
CID 894420
1-(4-isopropylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 2267094
1-(4-Ethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2267484
1-(3,4-Dimethylphenyl)-1',6'-dimethylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione
CID 665424
1',6'-dimethyl-1-(m-tolyl)-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione
CID 665844
(5Z)-1-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
CID 910773
5-{3-[4-(dimethylamino)phenyl]-2-propen-1-ylidene}-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 1360413
N-(4-isopropylphenyl)-1-oxo-2,3-diphenyl-2,7-diazaspiro[3.5]nonane-7-carboxamide
CID 24952932

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione (CID 15536368) is 5-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione is CC(C)C1(Cc2ccc(N(C)C)cc2)C(=O)NC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 5-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is AFSPCTIZPXMHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15(2)22(14-16-10-12-17(13-11-16)24(3)4)19(26)23-21(28)25(20(22)27)18-8-6-5-7-9-18/h5-13,15H,14H2,1-4H3,(H,23,26,28).
What are the key properties of 5-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
5-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 379.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dimethylamino)phenyl]methyl]-1-phenyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 15536368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).