4-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(4-methoxybenzoyl)amino]phenyl]phenyl]benzamide

C30H28N2O6 — CID 1349858

IUPAC4-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(4-methoxybenzoyl)amino]phenyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4ccc(OC)cc4)c(OC)c3)cc2OC)cc1
InChIInChI=1S/C30H28N2O6/c1-35-23-11-5-19(6-12-23)29(33)31-25-15-9-21(17-27(25)37-3)22-10-16-26(28(18-22)38-4)32-30(34)20-7-13-24(36-2)14-8-20/h5-18H,1-4H3,(H,31,33)(H,32,34)
InChIKeyBMRMZDQPAPLJEN-UHFFFAOYSA-N
MW512.56 g/mol
LogP5.89
Rot. Bonds9

About 4-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(4-methoxybenzoyl)amino]phenyl]phenyl]benzamide

4-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(4-methoxybenzoyl)amino]phenyl]phenyl]benzamide (PubChem CID 1349858) has the molecular formula C30H28N2O6 and a molecular weight of 512.56 g/mol. Its IUPAC name is 4-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(4-methoxybenzoyl)amino]phenyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(4-methoxybenzoyl)amino]phenyl]phenyl]benzamide
PubChem CID1349858
Molecular FormulaC30H28N2O6
Molecular Weight512.56 g/mol
Exact Mass512.19
IUPAC Name4-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(4-methoxybenzoyl)amino]phenyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4ccc(OC)cc4)c(OC)c3)cc2OC)cc1
InChIInChI=1S/C30H28N2O6/c1-35-23-11-5-19(6-12-23)29(33)31-25-15-9-21(17-27(25)37-3)22-10-16-26(28(18-22)38-4)32-30(34)20-7-13-24(36-2)14-8-20/h5-18H,1-4H3,(H,31,33)(H,32,34)
InChIKeyBMRMZDQPAPLJEN-UHFFFAOYSA-N
XLogP5.89
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.56
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(4-methoxybenzoyl)amino]phenyl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(4-methoxybenzoyl)amino]phenyl]phenyl]benzamide (CID 1349858) is 4-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(4-methoxybenzoyl)amino]phenyl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(4-methoxybenzoyl)amino]phenyl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(4-methoxybenzoyl)amino]phenyl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4ccc(OC)cc4)c(OC)c3)cc2OC)cc1.
What is the InChIKey of 4-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(4-methoxybenzoyl)amino]phenyl]phenyl]benzamide?
The InChIKey is BMRMZDQPAPLJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O6/c1-35-23-11-5-19(6-12-23)29(33)31-25-15-9-21(17-27(25)37-3)22-10-16-26(28(18-22)38-4)32-30(34)20-7-13-24(36-2)14-8-20/h5-18H,1-4H3,(H,31,33)(H,32,34).
What are the key properties of 4-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(4-methoxybenzoyl)amino]phenyl]phenyl]benzamide?
4-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(4-methoxybenzoyl)amino]phenyl]phenyl]benzamide has a molecular weight of 512.56 g/mol, XLogP of 5.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(4-methoxybenzoyl)amino]phenyl]phenyl]benzamide is sourced from PubChem (CID 1349858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).