3-benzhydryl-1-methyl-1,3-diazinane-2,4-dione

C18H18N2O2 — CID 23321812

IUPAC3-benzhydryl-1-methyl-1,3-diazinane-2,4-dione
SMILESCN1CCC(=O)N(C(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C18H18N2O2/c1-19-13-12-16(21)20(18(19)22)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,17H,12-13H2,1H3
InChIKeyIZPSVVBCYGGYOB-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.06
Rot. Bonds3

About 3-benzhydryl-1-methyl-1,3-diazinane-2,4-dione

3-benzhydryl-1-methyl-1,3-diazinane-2,4-dione (PubChem CID 23321812) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-benzhydryl-1-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-benzhydryl-1-methyl-1,3-diazinane-2,4-dione
PubChem CID23321812
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-benzhydryl-1-methyl-1,3-diazinane-2,4-dione
SMILESCN1CCC(=O)N(C(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C18H18N2O2/c1-19-13-12-16(21)20(18(19)22)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,17H,12-13H2,1H3
InChIKeyIZPSVVBCYGGYOB-UHFFFAOYSA-N
XLogP3.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-dimethylphenyl)-phenylmethyl]pyrrolidine-2,5-dione
CID 25178848
1-methyl-3-[(1S)-2-methyl-1-phenylpropyl]imidazolidine-2,4-dione
CID 100676777
1-methyl-3-(2-methyl-1-phenylpropyl)imidazolidine-2,4-dione
CID 119033776
1-[(3,4-dimethoxyphenyl)-phenylmethyl]pyrrolidine-2,5-dione
CID 25180390
1-phenyl-3-propan-2-yl-1,3-diazinane-2,4-dione
CID 60836275
4-methyl-1-[(3S)-3-phenylbutyl]-1,4-diazepan-5-one
CID 42464655
3-[(R)-(4-fluorophenyl)-phenylmethyl]-1-(2-methoxyethyl)imidazolidine-2,4-dione
CID 100638200
1-[1,3-benzodioxol-5-yl(phenyl)methyl]pyrrolidine-2,5-dione
CID 25178656
1-benzhydryl-4-methylpiperazine
CID 6726
2-benzhydryl-9-methyl-2,9-diazaspiro[4.5]decan-6-one
CID 130416499
1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione
CID 71354940
6,13-dibenzhydryl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 4561521

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-1-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-benzhydryl-1-methyl-1,3-diazinane-2,4-dione (CID 23321812) is 3-benzhydryl-1-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-benzhydryl-1-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-benzhydryl-1-methyl-1,3-diazinane-2,4-dione is CN1CCC(=O)N(C(c2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of 3-benzhydryl-1-methyl-1,3-diazinane-2,4-dione?
The InChIKey is IZPSVVBCYGGYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-19-13-12-16(21)20(18(19)22)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,17H,12-13H2,1H3.
What are the key properties of 3-benzhydryl-1-methyl-1,3-diazinane-2,4-dione?
3-benzhydryl-1-methyl-1,3-diazinane-2,4-dione has a molecular weight of 294.35 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-1-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 23321812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).