4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide

C21H27N3O2 — CID 17460581

IUPAC4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H27N3O2/c1-4-24(5-2)15-19-9-7-6-8-18(19)14-22-21(26)17-10-12-20(13-11-17)23-16(3)25/h6-13H,4-5,14-15H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyCOEYZWNMDGWOKT-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.42
Rot. Bonds8

About 4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide

4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide (PubChem CID 17460581) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
PubChem CID17460581
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H27N3O2/c1-4-24(5-2)15-19-9-7-6-8-18(19)14-22-21(26)17-10-12-20(13-11-17)23-16(3)25/h6-13H,4-5,14-15H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyCOEYZWNMDGWOKT-UHFFFAOYSA-N
XLogP3.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorobenzoyl)amino]-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 155664124
N-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide
CID 134022174
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbenzamide
CID 41439169
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55645960
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24504740
1-N-[3-[[2-(diethylaminomethyl)phenyl]methylcarbamoyl]phenyl]-3-N-hydroxybenzene-1,3-dicarboxamide
CID 168510548
N-[[2-(diethylaminomethyl)phenyl]methyl]-6-methoxypyridine-3-carboxamide
CID 24532719
N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 60674556
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9073524
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 43346662
3-bromo-N-[[2-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-5-methoxybenzamide
CID 26722982

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide (CID 17460581) is 4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide is CCN(CC)Cc1ccccc1CNC(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide?
The InChIKey is COEYZWNMDGWOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-24(5-2)15-19-9-7-6-8-18(19)14-22-21(26)17-10-12-20(13-11-17)23-16(3)25/h6-13H,4-5,14-15H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide?
4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide has a molecular weight of 353.47 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 17460581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).