N-[[4-(dimethylamino)phenyl]methyl]-2-(phenoxymethyl)benzamide

C23H24N2O2 — CID 17479222

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-(phenoxymethyl)benzamide
SMILESCN(C)c1ccc(CNC(=O)c2ccccc2COc2ccccc2)cc1
InChIInChI=1S/C23H24N2O2/c1-25(2)20-14-12-18(13-15-20)16-24-23(26)22-11-7-6-8-19(22)17-27-21-9-4-3-5-10-21/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyHQIOYTXYQDDZHY-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.26
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methyl]-2-(phenoxymethyl)benzamide

N-[[4-(dimethylamino)phenyl]methyl]-2-(phenoxymethyl)benzamide (PubChem CID 17479222) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-(phenoxymethyl)benzamide
PubChem CID17479222
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-(phenoxymethyl)benzamide
SMILESCN(C)c1ccc(CNC(=O)c2ccccc2COc2ccccc2)cc1
InChIInChI=1S/C23H24N2O2/c1-25(2)20-14-12-18(13-15-20)16-24-23(26)22-11-7-6-8-19(22)17-27-21-9-4-3-5-10-21/h3-15H,16-17H2,1-2H3,(H,24,26)
InChIKeyHQIOYTXYQDDZHY-UHFFFAOYSA-N
XLogP4.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-(phenoxymethyl)benzamide
CID 134022314
N-[[4-(dimethylamino)phenyl]methyl]-2-(methylamino)benzamide
CID 61378453
2-(phenoxymethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 24512524
N-[2-[di(propan-2-yl)amino]ethyl]-2-(phenoxymethyl)benzamide
CID 39467394
2-(phenoxymethyl)-N-(3-phenylpropyl)benzamide
CID 32979372
N-[3-(methylamino)propyl]-2-(phenoxymethyl)benzamide
CID 119431897
N,N-diethyl-2-(phenoxymethyl)benzamide
CID 78777252
N-[2-(4-fluorophenyl)ethyl]-2-(phenoxymethyl)benzamide
CID 32979164
2-(phenoxymethyl)-N-prop-2-enylbenzamide
CID 9399802
benzyl 2-[[2-(phenoxymethyl)benzoyl]amino]acetate
CID 32982202
2-(2-cyanophenyl)-N-[[4-(dimethylamino)phenyl]methyl]benzamide
CID 26819843
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-[[4-(phenoxymethyl)phenyl]methyl]benzamide
CID 39509186

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(phenoxymethyl)benzamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(phenoxymethyl)benzamide (CID 17479222) is N-[[4-(dimethylamino)phenyl]methyl]-2-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-(phenoxymethyl)benzamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-(phenoxymethyl)benzamide is CN(C)c1ccc(CNC(=O)c2ccccc2COc2ccccc2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-(phenoxymethyl)benzamide?
The InChIKey is HQIOYTXYQDDZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-25(2)20-14-12-18(13-15-20)16-24-23(26)22-11-7-6-8-19(22)17-27-21-9-4-3-5-10-21/h3-15H,16-17H2,1-2H3,(H,24,26).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-(phenoxymethyl)benzamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-(phenoxymethyl)benzamide has a molecular weight of 360.46 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-(phenoxymethyl)benzamide is sourced from PubChem (CID 17479222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).