Barbituric acid, 1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl-

C18H24N2O5 — CID 33926

IUPAC1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(C(=O)N(C(=O)N(C1=O)COCC)COCC)C2=CC=CC=C2
InChIInChI=1S/C18H24N2O5/c1-4-18(14-10-8-7-9-11-14)15(21)19(12-24-5-2)17(23)20(16(18)22)13-25-6-3/h7-11H,4-6,12-13H2,1-3H3
InChIKeyINJMAFDBGNBDKD-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.20
Rot. Bonds8

About Barbituric acid, 1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl-

Barbituric acid, 1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl- (PubChem CID 33926) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound NameBarbituric acid, 1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl-
PubChem CID33926
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(C(=O)N(C(=O)N(C1=O)COCC)COCC)C2=CC=CC=C2
InChIInChI=1S/C18H24N2O5/c1-4-18(14-10-8-7-9-11-14)15(21)19(12-24-5-2)17(23)20(16(18)22)13-25-6-3/h7-11H,4-6,12-13H2,1-3H3
InChIKeyINJMAFDBGNBDKD-UHFFFAOYSA-N
XLogP2.20
TPSA76.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity472

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Primidone
CID 4909
Phenobarbital
CID 4763
Mephobarbital
CID 8271
Eterobarb
CID 33925
Febarbamate
CID 25803
Phenallymal
CID 8274
Phenylmethylbarbituric acid
CID 66160
5-Ethyl-1,3-dimethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 12897
Barbituric acid, 5-hexyl-5-phenyl-
CID 49292
1,3-Dimethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 81873
T-2000
CID 9907289
Morsuximide
CID 71165

Frequently Asked Questions

What is the IUPAC name of Barbituric acid, 1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl-?
The IUPAC name of Barbituric acid, 1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl- (CID 33926) is 1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for Barbituric acid, 1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl-?
The canonical SMILES for Barbituric acid, 1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl- is CCC1(C(=O)N(C(=O)N(C1=O)COCC)COCC)C2=CC=CC=C2.
What is the InChIKey of Barbituric acid, 1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl-?
The InChIKey is INJMAFDBGNBDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-4-18(14-10-8-7-9-11-14)15(21)19(12-24-5-2)17(23)20(16(18)22)13-25-6-3/h7-11H,4-6,12-13H2,1-3H3.
What are the key properties of Barbituric acid, 1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl-?
Barbituric acid, 1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl- has a molecular weight of 348.40 g/mol, XLogP of 2.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Barbituric acid, 1,3-bis(ethoxymethyl)-5-ethyl-5-phenyl- is sourced from PubChem (CID 33926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).