2-hydroxy-3-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]-N,N,6-trimethylbenzamide

C15H16N2O5 — CID 58418505

IUPAC2-hydroxy-3-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]-N,N,6-trimethylbenzamide
SMILESCOc1c(Nc2ccc(C)c(C(=O)N(C)C)c2O)c(=O)c1=O
InChIInChI=1S/C15H16N2O5/c1-7-5-6-8(11(18)9(7)15(21)17(2)3)16-10-12(19)13(20)14(10)22-4/h5-6,16,18H,1-4H3
InChIKeyZEVVRARLFCEQES-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.75
Rot. Bonds4

About 2-hydroxy-3-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]-N,N,6-trimethylbenzamide

2-hydroxy-3-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]-N,N,6-trimethylbenzamide (PubChem CID 58418505) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]-N,N,6-trimethylbenzamide.

Molecular Properties

Compound Name2-hydroxy-3-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]-N,N,6-trimethylbenzamide
PubChem CID58418505
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name2-hydroxy-3-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]-N,N,6-trimethylbenzamide
SMILESCOc1c(Nc2ccc(C)c(C(=O)N(C)C)c2O)c(=O)c1=O
InChIInChI=1S/C15H16N2O5/c1-7-5-6-8(11(18)9(7)15(21)17(2)3)16-10-12(19)13(20)14(10)22-4/h5-6,16,18H,1-4H3
InChIKeyZEVVRARLFCEQES-UHFFFAOYSA-N
XLogP0.75
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]-N,N,6-trimethylbenzamide?
The IUPAC name of 2-hydroxy-3-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]-N,N,6-trimethylbenzamide (CID 58418505) is 2-hydroxy-3-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]-N,N,6-trimethylbenzamide.
What is the SMILES notation for 2-hydroxy-3-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]-N,N,6-trimethylbenzamide?
The canonical SMILES for 2-hydroxy-3-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]-N,N,6-trimethylbenzamide is COc1c(Nc2ccc(C)c(C(=O)N(C)C)c2O)c(=O)c1=O.
What is the InChIKey of 2-hydroxy-3-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]-N,N,6-trimethylbenzamide?
The InChIKey is ZEVVRARLFCEQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-7-5-6-8(11(18)9(7)15(21)17(2)3)16-10-12(19)13(20)14(10)22-4/h5-6,16,18H,1-4H3.
What are the key properties of 2-hydroxy-3-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]-N,N,6-trimethylbenzamide?
2-hydroxy-3-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]-N,N,6-trimethylbenzamide has a molecular weight of 304.30 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]-N,N,6-trimethylbenzamide is sourced from PubChem (CID 58418505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).