N-[2,5-dimethoxy-4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]benzamide

C26H28N2O5 — CID 19180504

IUPACN-[2,5-dimethoxy-4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCCCc1ccc(OCC(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1
InChIInChI=1S/C26H28N2O5/c1-4-8-18-11-13-20(14-12-18)33-17-25(29)27-21-15-24(32-3)22(16-23(21)31-2)28-26(30)19-9-6-5-7-10-19/h5-7,9-16H,4,8,17H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyWSOXEPXBPUDMEB-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.93
Rot. Bonds10

About N-[2,5-dimethoxy-4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]benzamide

N-[2,5-dimethoxy-4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]benzamide (PubChem CID 19180504) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]benzamide
PubChem CID19180504
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC NameN-[2,5-dimethoxy-4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCCCc1ccc(OCC(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1
InChIInChI=1S/C26H28N2O5/c1-4-8-18-11-13-20(14-12-18)33-17-25(29)27-21-15-24(32-3)22(16-23(21)31-2)28-26(30)19-9-6-5-7-10-19/h5-7,9-16H,4,8,17H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyWSOXEPXBPUDMEB-UHFFFAOYSA-N
XLogP4.93
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180542
N-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide
CID 19191483
N-[4-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180524
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-propylphenoxy)acetamide
CID 19174228
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126
N-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide
CID 9252851
N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180537
4-methoxy-N-[2-methoxy-5-[(2-phenoxyacetyl)amino]phenyl]benzamide
CID 46323186
N-(2-bromophenyl)-2-(4-propylphenoxy)acetamide
CID 19180395
N-[4-(ethylcarbamothioylamino)-2,5-dimethoxyphenyl]benzamide
CID 8660271
N-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180531
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-propylphenoxy)acetamide
CID 19180421

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[2,5-dimethoxy-4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]benzamide (CID 19180504) is N-[2,5-dimethoxy-4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[2,5-dimethoxy-4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]benzamide is CCCc1ccc(OCC(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1.
What is the InChIKey of N-[2,5-dimethoxy-4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]benzamide?
The InChIKey is WSOXEPXBPUDMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-4-8-18-11-13-20(14-12-18)33-17-25(29)27-21-15-24(32-3)22(16-23(21)31-2)28-26(30)19-9-6-5-7-10-19/h5-7,9-16H,4,8,17H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of N-[2,5-dimethoxy-4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]benzamide?
N-[2,5-dimethoxy-4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]benzamide has a molecular weight of 448.52 g/mol, XLogP of 4.93, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 19180504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).