N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbenzamide

C20H26N2O — CID 41439169

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbenzamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1cccc(C)c1
InChIInChI=1S/C20H26N2O/c1-4-22(5-2)15-19-11-7-6-10-18(19)14-21-20(23)17-12-8-9-16(3)13-17/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)
InChIKeyXJWTUBQBEMYUSS-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.77
Rot. Bonds7

About N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbenzamide

N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbenzamide (PubChem CID 41439169) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbenzamide
PubChem CID41439169
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbenzamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1cccc(C)c1
InChIInChI=1S/C20H26N2O/c1-4-22(5-2)15-19-11-7-6-10-18(19)14-21-20(23)17-12-8-9-16(3)13-17/h6-13H,4-5,14-15H2,1-3H3,(H,21,23)
InChIKeyXJWTUBQBEMYUSS-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 168510548
3-[(4-chlorobenzoyl)amino]-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 155664124
N-[(2-bromophenyl)methyl]-3-methylbenzamide
CID 60739134
N-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide
CID 134022174
4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 17460581
N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 60674556
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55415614
3-N,3-N-diethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054218
N-[[2-(diethylaminomethyl)phenyl]methyl]-6-methoxypyridine-3-carboxamide
CID 24532719
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methylbenzamide
CID 111520307
3-N-[[2-(hydroxymethyl)phenyl]methyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 111458178

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbenzamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbenzamide (CID 41439169) is N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbenzamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbenzamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbenzamide is CCN(CC)Cc1ccccc1CNC(=O)c1cccc(C)c1.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbenzamide?
The InChIKey is XJWTUBQBEMYUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-4-22(5-2)15-19-11-7-6-10-18(19)14-21-20(23)17-12-8-9-16(3)13-17/h6-13H,4-5,14-15H2,1-3H3,(H,21,23).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbenzamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbenzamide has a molecular weight of 310.44 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbenzamide is sourced from PubChem (CID 41439169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).