4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-(3-methylphenyl)ethyl]benzamide

C26H28N2O3 — CID 86875243

IUPAC4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-(3-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(CC(=O)NCc2ccc(C(=O)NCCc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C26H28N2O3/c1-19-4-3-5-20(16-19)14-15-27-26(30)23-10-6-22(7-11-23)18-28-25(29)17-21-8-12-24(31-2)13-9-21/h3-13,16H,14-15,17-18H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyRFGLFVNSCFJPFW-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.84
Rot. Bonds9

About 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-(3-methylphenyl)ethyl]benzamide

4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-(3-methylphenyl)ethyl]benzamide (PubChem CID 86875243) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-(3-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-(3-methylphenyl)ethyl]benzamide
PubChem CID86875243
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-(3-methylphenyl)ethyl]benzamide
SMILESCOc1ccc(CC(=O)NCc2ccc(C(=O)NCCc3cccc(C)c3)cc2)cc1
InChIInChI=1S/C26H28N2O3/c1-19-4-3-5-20(16-19)14-15-27-26(30)23-10-6-22(7-11-23)18-28-25(29)17-21-8-12-24(31-2)13-9-21/h3-13,16H,14-15,17-18H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyRFGLFVNSCFJPFW-UHFFFAOYSA-N
XLogP3.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-methoxyphenyl)methylamino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 42852652
N-[2-(4-methoxyphenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984688
N-[2-(4-methoxyphenyl)ethyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155812
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
4-methoxy-N-[[3-[[(4-methylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]benzamide
CID 23988040
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
4-methoxy-N-[4-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylamino]-4-oxobutyl]benzamide
CID 55958304
N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255947
3-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]butanamide
CID 110307646

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-(3-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-(3-methylphenyl)ethyl]benzamide (CID 86875243) is 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-(3-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-(3-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-(3-methylphenyl)ethyl]benzamide is COc1ccc(CC(=O)NCc2ccc(C(=O)NCCc3cccc(C)c3)cc2)cc1.
What is the InChIKey of 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-(3-methylphenyl)ethyl]benzamide?
The InChIKey is RFGLFVNSCFJPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-19-4-3-5-20(16-19)14-15-27-26(30)23-10-6-22(7-11-23)18-28-25(29)17-21-8-12-24(31-2)13-9-21/h3-13,16H,14-15,17-18H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-(3-methylphenyl)ethyl]benzamide?
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-(3-methylphenyl)ethyl]benzamide has a molecular weight of 416.52 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-(3-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 86875243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).