diethyl-[[4-[[[4-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]azanium

C21H29N2O2+ — CID 8947985

IUPACdiethyl-[[4-[[[4-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]azanium
SMILESCC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(COC)cc2)cc1
InChIInChI=1S/C21H28N2O2/c1-4-23(5-2)15-18-8-6-17(7-9-18)14-22-21(24)20-12-10-19(11-13-20)16-25-3/h6-13H,4-5,14-16H2,1-3H3,(H,22,24)/p+1
InChIKeyBIIZGORDPLOSJQ-UHFFFAOYSA-O
MW341.48 g/mol
LogP2.19
Rot. Bonds9

About diethyl-[[4-[[[4-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]azanium

diethyl-[[4-[[[4-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]azanium (PubChem CID 8947985) has the molecular formula C21H29N2O2+ and a molecular weight of 341.48 g/mol. Its IUPAC name is diethyl-[[4-[[[4-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]azanium.

Molecular Properties

Compound Namediethyl-[[4-[[[4-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]azanium
PubChem CID8947985
Molecular FormulaC21H29N2O2+
Molecular Weight341.48 g/mol
Exact Mass341.22
IUPAC Namediethyl-[[4-[[[4-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]azanium
SMILESCC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(COC)cc2)cc1
InChIInChI=1S/C21H28N2O2/c1-4-23(5-2)15-18-8-6-17(7-9-18)14-22-21(24)20-12-10-19(11-13-20)16-25-3/h6-13H,4-5,14-16H2,1-3H3,(H,22,24)/p+1
InChIKeyBIIZGORDPLOSJQ-UHFFFAOYSA-O
XLogP2.19
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-[[[4-(methoxymethyl)benzoyl]amino]methyl]benzamide
CID 86990014
diethyl-[[4-[[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]methyl]phenyl]methyl]azanium
CID 8948701
N-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 46448239
[4-[(2,3-dihydro-1H-indene-5-carbonylamino)methyl]phenyl]methyl-diethylazanium
CID 8947914
4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 35613985
3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide
CID 39271149
N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
CID 51176578
[4-[[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium
CID 8948581
N-[3-(benzylamino)-3-oxopropyl]-4-(methoxymethyl)benzamide
CID 60608621
[4-[[[3-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium
CID 8947695
4-(methoxymethyl)-N-[2-(methylamino)ethyl]benzamide
CID 119503363
N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide
CID 65112007

Frequently Asked Questions

What is the IUPAC name of diethyl-[[4-[[[4-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]azanium?
The IUPAC name of diethyl-[[4-[[[4-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]azanium (CID 8947985) is diethyl-[[4-[[[4-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]azanium.
What is the SMILES notation for diethyl-[[4-[[[4-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]azanium?
The canonical SMILES for diethyl-[[4-[[[4-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]azanium is CC[NH+](CC)Cc1ccc(CNC(=O)c2ccc(COC)cc2)cc1.
What is the InChIKey of diethyl-[[4-[[[4-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]azanium?
The InChIKey is BIIZGORDPLOSJQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H28N2O2/c1-4-23(5-2)15-18-8-6-17(7-9-18)14-22-21(24)20-12-10-19(11-13-20)16-25-3/h6-13H,4-5,14-16H2,1-3H3,(H,22,24)/p+1.
What are the key properties of diethyl-[[4-[[[4-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]azanium?
diethyl-[[4-[[[4-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]azanium has a molecular weight of 341.48 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[[4-[[[4-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]azanium is sourced from PubChem (CID 8947985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).