5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione

C15H20N2O3 — CID 68674859

IUPAC5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione
SMILESCCN1C(=O)C(C)(C)C(=O)N(C)c2ccc(OC)cc21
InChIInChI=1S/C15H20N2O3/c1-6-17-12-9-10(20-5)7-8-11(12)16(4)13(18)15(2,3)14(17)19/h7-9H,6H2,1-5H3
InChIKeyPZTAQVIKALRFSG-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.05
Rot. Bonds2

About 5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione

5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione (PubChem CID 68674859) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione
PubChem CID68674859
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione
SMILESCCN1C(=O)C(C)(C)C(=O)N(C)c2ccc(OC)cc21
InChIInChI=1S/C15H20N2O3/c1-6-17-12-9-10(20-5)7-8-11(12)16(4)13(18)15(2,3)14(17)19/h7-9H,6H2,1-5H3
InChIKeyPZTAQVIKALRFSG-UHFFFAOYSA-N
XLogP2.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.05
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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione?
The IUPAC name of 5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione (CID 68674859) is 5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione.
What is the SMILES notation for 5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione?
The canonical SMILES for 5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione is CCN1C(=O)C(C)(C)C(=O)N(C)c2ccc(OC)cc21.
What is the InChIKey of 5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione?
The InChIKey is PZTAQVIKALRFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-6-17-12-9-10(20-5)7-8-11(12)16(4)13(18)15(2,3)14(17)19/h7-9H,6H2,1-5H3.
What are the key properties of 5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione?
5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione has a molecular weight of 276.34 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-methoxy-1,3,3-trimethyl-1,5-benzodiazepine-2,4-dione is sourced from PubChem (CID 68674859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).