2-methoxy-N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide

C24H25NO5 — CID 57380656

IUPAC2-methoxy-N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide
SMILESCOC1=C(CC(C)(C)CNC(=O)c2ccccc2OC)C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H25NO5/c1-24(2,14-25-23(28)17-11-7-8-12-19(17)29-3)13-18-20(26)15-9-5-6-10-16(15)21(27)22(18)30-4/h5-12H,13-14H2,1-4H3,(H,25,28)
InChIKeyLEWYBTHEHKXXNH-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.82
Rot. Bonds7

About 2-methoxy-N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide

2-methoxy-N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide (PubChem CID 57380656) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-methoxy-N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide
PubChem CID57380656
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name2-methoxy-N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide
SMILESCOC1=C(CC(C)(C)CNC(=O)c2ccccc2OC)C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H25NO5/c1-24(2,14-25-23(28)17-11-7-8-12-19(17)29-3)13-18-20(26)15-9-5-6-10-16(15)21(27)22(18)30-4/h5-12H,13-14H2,1-4H3,(H,25,28)
InChIKeyLEWYBTHEHKXXNH-UHFFFAOYSA-N
XLogP3.82
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 2-methoxy-N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide (CID 57380656) is 2-methoxy-N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide is COC1=C(CC(C)(C)CNC(=O)c2ccccc2OC)C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-methoxy-N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide?
The InChIKey is LEWYBTHEHKXXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5/c1-24(2,14-25-23(28)17-11-7-8-12-19(17)29-3)13-18-20(26)15-9-5-6-10-16(15)21(27)22(18)30-4/h5-12H,13-14H2,1-4H3,(H,25,28).
What are the key properties of 2-methoxy-N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide?
2-methoxy-N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide has a molecular weight of 407.47 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(3-methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl]benzamide is sourced from PubChem (CID 57380656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).