1,3-bis[4-(dimethylamino)-2-oxobutyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione

C24H34N4O5 — CID 24834068

IUPAC1,3-bis[4-(dimethylamino)-2-oxobutyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(c2ccccc2)C(=O)N(CC(=O)CCN(C)C)C(=O)N(CC(=O)CCN(C)C)C1=O
InChIInChI=1S/C24H34N4O5/c1-6-24(18-10-8-7-9-11-18)21(31)27(16-19(29)12-14-25(2)3)23(33)28(22(24)32)17-20(30)13-15-26(4)5/h7-11H,6,12-17H2,1-5H3
InChIKeyQNPRNMKODUKREP-UHFFFAOYSA-N
MW458.56 g/mol
LogP1.17
Rot. Bonds12

About 1,3-bis[4-(dimethylamino)-2-oxobutyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione

1,3-bis[4-(dimethylamino)-2-oxobutyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 24834068) has the molecular formula C24H34N4O5 and a molecular weight of 458.56 g/mol. Its IUPAC name is 1,3-bis[4-(dimethylamino)-2-oxobutyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis[4-(dimethylamino)-2-oxobutyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID24834068
Molecular FormulaC24H34N4O5
Molecular Weight458.56 g/mol
Exact Mass458.25
IUPAC Name1,3-bis[4-(dimethylamino)-2-oxobutyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(c2ccccc2)C(=O)N(CC(=O)CCN(C)C)C(=O)N(CC(=O)CCN(C)C)C1=O
InChIInChI=1S/C24H34N4O5/c1-6-24(18-10-8-7-9-11-18)21(31)27(16-19(29)12-14-25(2)3)23(33)28(22(24)32)17-20(30)13-15-26(4)5/h7-11H,6,12-17H2,1-5H3
InChIKeyQNPRNMKODUKREP-UHFFFAOYSA-N
XLogP1.17
TPSA98.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[4-(dimethylamino)-2-oxobutyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-bis[4-(dimethylamino)-2-oxobutyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione (CID 24834068) is 1,3-bis[4-(dimethylamino)-2-oxobutyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis[4-(dimethylamino)-2-oxobutyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis[4-(dimethylamino)-2-oxobutyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione is CCC1(c2ccccc2)C(=O)N(CC(=O)CCN(C)C)C(=O)N(CC(=O)CCN(C)C)C1=O.
What is the InChIKey of 1,3-bis[4-(dimethylamino)-2-oxobutyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is QNPRNMKODUKREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5/c1-6-24(18-10-8-7-9-11-18)21(31)27(16-19(29)12-14-25(2)3)23(33)28(22(24)32)17-20(30)13-15-26(4)5/h7-11H,6,12-17H2,1-5H3.
What are the key properties of 1,3-bis[4-(dimethylamino)-2-oxobutyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione?
1,3-bis[4-(dimethylamino)-2-oxobutyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 458.56 g/mol, XLogP of 1.17, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[4-(dimethylamino)-2-oxobutyl]-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 24834068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).