2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide

C28H24N2O4 — CID 3299583

IUPAC2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-c2ccc(NC(=O)c3ccccc3OC)cc2)cc1
InChIInChI=1S/C28H24N2O4/c1-33-25-9-5-3-7-23(25)27(31)29-21-15-11-19(12-16-21)20-13-17-22(18-14-20)30-28(32)24-8-4-6-10-26(24)34-2/h3-18H,1-2H3,(H,29,31)(H,30,32)
InChIKeyBJUCWKDMNJIUKU-UHFFFAOYSA-N
MW452.51 g/mol
LogP5.88
Rot. Bonds7

About 2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide

2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide (PubChem CID 3299583) has the molecular formula C28H24N2O4 and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
PubChem CID3299583
Molecular FormulaC28H24N2O4
Molecular Weight452.51 g/mol
Exact Mass452.17
IUPAC Name2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-c2ccc(NC(=O)c3ccccc3OC)cc2)cc1
InChIInChI=1S/C28H24N2O4/c1-33-25-9-5-3-7-23(25)27(31)29-21-15-11-19(12-16-21)20-13-17-22(18-14-20)30-28(32)24-8-4-6-10-26(24)34-2/h3-18H,1-2H3,(H,29,31)(H,30,32)
InChIKeyBJUCWKDMNJIUKU-UHFFFAOYSA-N
XLogP5.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide (CID 3299583) is 2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide is COc1ccccc1C(=O)Nc1ccc(-c2ccc(NC(=O)c3ccccc3OC)cc2)cc1.
What is the InChIKey of 2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide?
The InChIKey is BJUCWKDMNJIUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O4/c1-33-25-9-5-3-7-23(25)27(31)29-21-15-11-19(12-16-21)20-13-17-22(18-14-20)30-28(32)24-8-4-6-10-26(24)34-2/h3-18H,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide?
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide has a molecular weight of 452.51 g/mol, XLogP of 5.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide is sourced from PubChem (CID 3299583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).