4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide

C26H28N2O4 — CID 3528873

IUPAC4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(CNC(=O)c3ccc(OCC)cc3)cc2)cc1
InChIInChI=1S/C26H28N2O4/c1-3-31-23-13-9-21(10-14-23)25(29)27-17-19-5-7-20(8-6-19)18-28-26(30)22-11-15-24(16-12-22)32-4-2/h5-16H,3-4,17-18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyCGDBLIYFQBVBJM-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.34
Rot. Bonds10

About 4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide

4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide (PubChem CID 3528873) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
PubChem CID3528873
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2ccc(CNC(=O)c3ccc(OCC)cc3)cc2)cc1
InChIInChI=1S/C26H28N2O4/c1-3-31-23-13-9-21(10-14-23)25(29)27-17-19-5-7-20(8-6-19)18-28-26(30)22-11-15-24(16-12-22)32-4-2/h5-16H,3-4,17-18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyCGDBLIYFQBVBJM-UHFFFAOYSA-N
XLogP4.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
CID 60918064
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
4-N-(4-ethoxyphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046981
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 27660429
4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 25403941
N-[(4-ethoxyphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 53283400
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
4-ethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261598
1-[(4-ethoxyphenyl)methyl]-3-ethylurea
CID 108884423
N-[[4-[(4-ethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925525

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide?
The IUPAC name of 4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide (CID 3528873) is 4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide is CCOc1ccc(C(=O)NCc2ccc(CNC(=O)c3ccc(OCC)cc3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide?
The InChIKey is CGDBLIYFQBVBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-3-31-23-13-9-21(10-14-23)25(29)27-17-19-5-7-20(8-6-19)18-28-26(30)22-11-15-24(16-12-22)32-4-2/h5-16H,3-4,17-18H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide?
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide has a molecular weight of 432.52 g/mol, XLogP of 4.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 3528873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).