1,3-dibenzyl-5-(naphthalen-2-ylmethyl)-1,3-diazinane-2,4,6-trione

C29H24N2O3 — CID 118546703

IUPAC1,3-dibenzyl-5-(naphthalen-2-ylmethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1C(Cc2ccc3ccccc3c2)C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C29H24N2O3/c32-27-26(18-23-15-16-24-13-7-8-14-25(24)17-23)28(33)31(20-22-11-5-2-6-12-22)29(34)30(27)19-21-9-3-1-4-10-21/h1-17,26H,18-20H2
InChIKeyFPMYOHHDPJTETB-UHFFFAOYSA-N
MW448.52 g/mol
LogP5.19
Rot. Bonds6

About 1,3-dibenzyl-5-(naphthalen-2-ylmethyl)-1,3-diazinane-2,4,6-trione

1,3-dibenzyl-5-(naphthalen-2-ylmethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 118546703) has the molecular formula C29H24N2O3 and a molecular weight of 448.52 g/mol. Its IUPAC name is 1,3-dibenzyl-5-(naphthalen-2-ylmethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dibenzyl-5-(naphthalen-2-ylmethyl)-1,3-diazinane-2,4,6-trione
PubChem CID118546703
Molecular FormulaC29H24N2O3
Molecular Weight448.52 g/mol
Exact Mass448.18
IUPAC Name1,3-dibenzyl-5-(naphthalen-2-ylmethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1C(Cc2ccc3ccccc3c2)C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C29H24N2O3/c32-27-26(18-23-15-16-24-13-7-8-14-25(24)17-23)28(33)31(20-22-11-5-2-6-12-22)29(34)30(27)19-21-9-3-1-4-10-21/h1-17,26H,18-20H2
InChIKeyFPMYOHHDPJTETB-UHFFFAOYSA-N
XLogP5.19
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-5-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
CID 16660602
5-benzyl-1-[(4-methylphenyl)methyl]-3-phenyl-1,3-diazinane-2,4,6-trione
CID 144582870
(5S)-5-benzyl-3-ethyl-1-(naphthalen-2-ylmethyl)imidazolidine-2,4-dione
CID 142628164
1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one
CID 139259299
2-(cyclopropylmethyl)naphthalene
CID 19063908
(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 729946
1-benzyl-3,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 86189185
trans-(2S,6S)-2,6-bis(naphthalen-2-ylmethyl)cyclohexan-1-one
CID 129302121
5-benzyl-1-phenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-5-phenyl-1,3-diazinane-2,4,6-trione;1,5-dibenzyl-3-phenyl-1,3-diazinane-2,4,6-trione;1,5-diphenyl-3-(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3,5-tribenzyl-1,3-diazinane-2,4,6-trione
CID 159349821
1,3-dibenzyl-5-(1-naphthalen-2-ylethyl)-3a,6a-dihydropyrrolo[3,4-d]imidazole-2,4,6-trione
CID 70638443
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-naphthalen-2-ylacetamide
CID 7819935
1-benzyl-3-[(4-bromophenyl)methyl]-5-chloro-3H-indol-2-one
CID 139259282

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-5-(naphthalen-2-ylmethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dibenzyl-5-(naphthalen-2-ylmethyl)-1,3-diazinane-2,4,6-trione (CID 118546703) is 1,3-dibenzyl-5-(naphthalen-2-ylmethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dibenzyl-5-(naphthalen-2-ylmethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dibenzyl-5-(naphthalen-2-ylmethyl)-1,3-diazinane-2,4,6-trione is O=C1C(Cc2ccc3ccccc3c2)C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-5-(naphthalen-2-ylmethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is FPMYOHHDPJTETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O3/c32-27-26(18-23-15-16-24-13-7-8-14-25(24)17-23)28(33)31(20-22-11-5-2-6-12-22)29(34)30(27)19-21-9-3-1-4-10-21/h1-17,26H,18-20H2.
What are the key properties of 1,3-dibenzyl-5-(naphthalen-2-ylmethyl)-1,3-diazinane-2,4,6-trione?
1,3-dibenzyl-5-(naphthalen-2-ylmethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 448.52 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-5-(naphthalen-2-ylmethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 118546703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).