4-(diethylaminomethyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide

C22H27N5O — CID 55867992

IUPAC4-(diethylaminomethyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCCN(CC)Cc1ccc(C(=O)NCc2cccc(Cn3cncn3)c2)cc1
InChIInChI=1S/C22H27N5O/c1-3-26(4-2)14-18-8-10-21(11-9-18)22(28)24-13-19-6-5-7-20(12-19)15-27-17-23-16-25-27/h5-12,16-17H,3-4,13-15H2,1-2H3,(H,24,28)
InChIKeyWMGSBXRCIXQLCZ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.10
Rot. Bonds9

About 4-(diethylaminomethyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide

4-(diethylaminomethyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 55867992) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(diethylaminomethyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID55867992
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name4-(diethylaminomethyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCCN(CC)Cc1ccc(C(=O)NCc2cccc(Cn3cncn3)c2)cc1
InChIInChI=1S/C22H27N5O/c1-3-26(4-2)14-18-8-10-21(11-9-18)22(28)24-13-19-6-5-7-20(12-19)15-27-17-23-16-25-27/h5-12,16-17H,3-4,13-15H2,1-2H3,(H,24,28)
InChIKeyWMGSBXRCIXQLCZ-UHFFFAOYSA-N
XLogP3.10
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(diethylaminomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953894
N-[(4-methylphenyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394848
3,5-dichloro-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55751554
1-benzyl-N-[[3-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 155945718
1-benzyl-N-[[4-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 24504538
3-fluoro-4-methyl-N-[2-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylcarbamoylamino]ethyl]benzamide
CID 55793823
N-[3-[[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55863137
4-[(S)-methylsulfinyl]-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 94588492
3-(4-methylphenyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55751519
2-oxo-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 56815944
N-[[3-(diethylaminomethyl)phenyl]methyl]furan-3-carboxamide
CID 47046081
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55973463

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(diethylaminomethyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide (CID 55867992) is 4-(diethylaminomethyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(diethylaminomethyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(diethylaminomethyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide is CCN(CC)Cc1ccc(C(=O)NCc2cccc(Cn3cncn3)c2)cc1.
What is the InChIKey of 4-(diethylaminomethyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is WMGSBXRCIXQLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-3-26(4-2)14-18-8-10-21(11-9-18)22(28)24-13-19-6-5-7-20(12-19)15-27-17-23-16-25-27/h5-12,16-17H,3-4,13-15H2,1-2H3,(H,24,28).
What are the key properties of 4-(diethylaminomethyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide?
4-(diethylaminomethyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 377.49 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55867992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).