N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide

C20H26N2O2 — CID 8947686

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-4-22(5-2)15-17-8-6-16(7-9-17)14-21-20(23)18-10-12-19(24-3)13-11-18/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)
InChIKeyXTUSTBSFXVYOKB-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.47
Rot. Bonds8

About N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide

N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide (PubChem CID 8947686) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
PubChem CID8947686
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H26N2O2/c1-4-22(5-2)15-17-8-6-16(7-9-17)14-21-20(23)18-10-12-19(24-3)13-11-18/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)
InChIKeyXTUSTBSFXVYOKB-UHFFFAOYSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 3069013
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide
CID 24550915
1-[4-(diethylaminomethyl)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 166706407
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-3-methoxybenzamide
CID 8948247
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(methylsulfonylmethyl)benzamide
CID 8948215
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide
CID 27332548
4-[ethyl(ethylsulfonyl)amino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53289319
methyl 4-[[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]methyl]benzoate
CID 34673655
4-(cyanomethyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 82178795
N-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 18154708
N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1118173
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide (CID 8947686) is N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide is CCN(CC)Cc1ccc(CNC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide?
The InChIKey is XTUSTBSFXVYOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-22(5-2)15-17-8-6-16(7-9-17)14-21-20(23)18-10-12-19(24-3)13-11-18/h6-13H,4-5,14-15H2,1-3H3,(H,21,23).
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide has a molecular weight of 326.44 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 8947686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).