4-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenoxy]benzamide

C23H22N2O6 — CID 56545250

IUPAC4-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenoxy]benzamide
SMILESCOc1cc(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H22N2O6/c1-28-19-12-16(13-20(29-2)21(19)30-3)25-23(27)15-6-10-18(11-7-15)31-17-8-4-14(5-9-17)22(24)26/h4-13H,1-3H3,(H2,24,26)(H,25,27)
InChIKeyQKOICCMXFOSTRE-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.86
Rot. Bonds8

About 4-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenoxy]benzamide

4-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenoxy]benzamide (PubChem CID 56545250) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is 4-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenoxy]benzamide
PubChem CID56545250
Molecular FormulaC23H22N2O6
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC Name4-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenoxy]benzamide
SMILESCOc1cc(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H22N2O6/c1-28-19-12-16(13-20(29-2)21(19)30-3)25-23(27)15-6-10-18(11-7-15)31-17-8-4-14(5-9-17)22(24)26/h4-13H,1-3H3,(H2,24,26)(H,25,27)
InChIKeyQKOICCMXFOSTRE-UHFFFAOYSA-N
XLogP3.86
TPSA109.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
N-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxamide
CID 7741667
3-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)benzamide
CID 28723700
4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide
CID 56545946
4-(2,5-dimethylpyrrol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26717528
N-(3,5-dimethylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651159
N-(5-carbamoyl-2-methoxyphenyl)-3,4,5-trimethoxybenzamide
CID 55783058
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
4-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1272637
4-(3,4,5-trimethoxyphenyl)benzamide
CID 39746262
6-oxo-N-(3,4,5-trimethoxyphenyl)pyran-3-carboxamide
CID 110697559
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenoxy]benzamide (CID 56545250) is 4-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenoxy]benzamide is COc1cc(NC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc(OC)c1OC.
What is the InChIKey of 4-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenoxy]benzamide?
The InChIKey is QKOICCMXFOSTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6/c1-28-19-12-16(13-20(29-2)21(19)30-3)25-23(27)15-6-10-18(11-7-15)31-17-8-4-14(5-9-17)22(24)26/h4-13H,1-3H3,(H2,24,26)(H,25,27).
What are the key properties of 4-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenoxy]benzamide?
4-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenoxy]benzamide has a molecular weight of 422.44 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56545250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).