2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide

C26H28N2O4 — CID 121289726

IUPAC2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
SMILESCOCc1ccccc1C(=O)NCc1cccc(CNC(=O)c2ccccc2COC)c1
InChIInChI=1S/C26H28N2O4/c1-31-17-21-10-3-5-12-23(21)25(29)27-15-19-8-7-9-20(14-19)16-28-26(30)24-13-6-4-11-22(24)18-32-2/h3-14H,15-18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyZBRJYVYNEQUHLT-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.84
Rot. Bonds10

About 2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide

2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide (PubChem CID 121289726) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
PubChem CID121289726
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
SMILESCOCc1ccccc1C(=O)NCc1cccc(CNC(=O)c2ccccc2COC)c1
InChIInChI=1S/C26H28N2O4/c1-31-17-21-10-3-5-12-23(21)25(29)27-15-19-8-7-9-20(14-19)16-28-26(30)24-13-6-4-11-22(24)18-32-2/h3-14H,15-18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyZBRJYVYNEQUHLT-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-2-(methylamino)benzamide
CID 61376120
N,2-bis(methoxymethyl)benzamide
CID 91153220
2-(methoxymethyl)-N-methylbenzamide
CID 60753373
2-benzyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 55801218
2-(methoxymethyl)-N-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]benzamide
CID 51125144
2,3-difluoro-N-[[2-(methoxymethyl)phenyl]methyl]benzamide
CID 62649576
2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 114371778
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 107904710
2-[[[3-(methoxymethyl)phenyl]methylamino]methyl]benzoic acid
CID 103241682
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide
CID 80973519
N-(2-hydroxy-3-methylbutyl)-2-(methoxymethyl)benzamide
CID 113258914
N-(6-hydroxyhexyl)-2-(methoxymethyl)benzamide
CID 103919534

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide?
The IUPAC name of 2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide (CID 121289726) is 2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide?
The canonical SMILES for 2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide is COCc1ccccc1C(=O)NCc1cccc(CNC(=O)c2ccccc2COC)c1.
What is the InChIKey of 2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide?
The InChIKey is ZBRJYVYNEQUHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-31-17-21-10-3-5-12-23(21)25(29)27-15-19-8-7-9-20(14-19)16-28-26(30)24-13-6-4-11-22(24)18-32-2/h3-14H,15-18H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide?
2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide has a molecular weight of 432.52 g/mol, XLogP of 3.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 121289726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).