5-benzyl-1-propyl-1,3-diazinane-2,4,6-trione

C14H16N2O3 — CID 91699920

IUPAC5-benzyl-1-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCN1C(=O)NC(=O)C(Cc2ccccc2)C1=O
InChIInChI=1S/C14H16N2O3/c1-2-8-16-13(18)11(12(17)15-14(16)19)9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,15,17,19)
InChIKeyHJQJUMZZZORWCB-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.33
Rot. Bonds4

About 5-benzyl-1-propyl-1,3-diazinane-2,4,6-trione

5-benzyl-1-propyl-1,3-diazinane-2,4,6-trione (PubChem CID 91699920) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-benzyl-1-propyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-benzyl-1-propyl-1,3-diazinane-2,4,6-trione
PubChem CID91699920
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-benzyl-1-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCN1C(=O)NC(=O)C(Cc2ccccc2)C1=O
InChIInChI=1S/C14H16N2O3/c1-2-8-16-13(18)11(12(17)15-14(16)19)9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,15,17,19)
InChIKeyHJQJUMZZZORWCB-UHFFFAOYSA-N
XLogP1.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946971
(5-benzyl-2,4,6-trioxo-1,3-diazinan-1-yl)methanesulfonic acid
CID 90362083
2-(5-benzyl-2,4,6-trioxo-1,3-diazinan-1-yl)ethyl N-[[3-[[2-(5-benzyl-2,4,6-trioxo-1,3-diazinan-1-yl)ethoxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 121432773
(5S)-5-benzyl-1-methylimidazolidine-2,4-dione
CID 165148051
(3S,6S)-6-benzyl-1-methyl-3-propan-2-yl-1,4-diazepane-2,5,7-trione
CID 139584922
(5S)-5-benzyl-2,2-dimethyl-1-propylimidazolidin-4-one
CID 101208884
1-methyl-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 67491873
1-[(3-methylphenyl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946982
(3S,4S)-3-benzyl-4-propylazetidin-2-one
CID 11820200
(5S)-5-[(4-methoxyphenyl)methyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 7272193
4-benzyl-3-ethylazetidin-2-one
CID 85185683
5-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)pentanamide
CID 106236626

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-propyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-benzyl-1-propyl-1,3-diazinane-2,4,6-trione (CID 91699920) is 5-benzyl-1-propyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-benzyl-1-propyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-benzyl-1-propyl-1,3-diazinane-2,4,6-trione is CCCN1C(=O)NC(=O)C(Cc2ccccc2)C1=O.
What is the InChIKey of 5-benzyl-1-propyl-1,3-diazinane-2,4,6-trione?
The InChIKey is HJQJUMZZZORWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-8-16-13(18)11(12(17)15-14(16)19)9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,15,17,19).
What are the key properties of 5-benzyl-1-propyl-1,3-diazinane-2,4,6-trione?
5-benzyl-1-propyl-1,3-diazinane-2,4,6-trione has a molecular weight of 260.29 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-propyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 91699920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).