N-[[3-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide

C17H18N6O — CID 51100816

IUPACN-[[3-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
SMILESCN(C)c1cccc(CNC(=O)c2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C17H18N6O/c1-22(2)15-7-3-5-13(9-15)11-18-17(24)14-6-4-8-16(10-14)23-12-19-20-21-23/h3-10,12H,11H2,1-2H3,(H,18,24)
InChIKeyVNUOSTVNKGWOEH-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.66
Rot. Bonds5

About N-[[3-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide

N-[[3-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide (PubChem CID 51100816) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[[3-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[[3-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
PubChem CID51100816
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC NameN-[[3-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
SMILESCN(C)c1cccc(CNC(=O)c2cccc(-n3cnnn3)c2)c1
InChIInChI=1S/C17H18N6O/c1-22(2)15-7-3-5-13(9-15)11-18-17(24)14-6-4-8-16(10-14)23-12-19-20-21-23/h3-10,12H,11H2,1-2H3,(H,18,24)
InChIKeyVNUOSTVNKGWOEH-UHFFFAOYSA-N
XLogP1.66
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[[3-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide (CID 51100816) is N-[[3-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[[3-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[[3-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide is CN(C)c1cccc(CNC(=O)c2cccc(-n3cnnn3)c2)c1.
What is the InChIKey of N-[[3-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide?
The InChIKey is VNUOSTVNKGWOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-22(2)15-7-3-5-13(9-15)11-18-17(24)14-6-4-8-16(10-14)23-12-19-20-21-23/h3-10,12H,11H2,1-2H3,(H,18,24).
What are the key properties of N-[[3-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide?
N-[[3-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide has a molecular weight of 322.37 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51100816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).