4,5-dimethoxy-2-(tetrazol-1-yl)-N-(2,4,6-trimethylphenyl)benzamide

C19H21N5O3 — CID 647702

IUPAC4,5-dimethoxy-2-(tetrazol-1-yl)-N-(2,4,6-trimethylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2c(C)cc(C)cc2C)c(-n2cnnn2)cc1OC
InChIInChI=1S/C19H21N5O3/c1-11-6-12(2)18(13(3)7-11)21-19(25)14-8-16(26-4)17(27-5)9-15(14)24-10-20-22-23-24/h6-10H,1-5H3,(H,21,25)
InChIKeyNFOTWEZTCHQKDO-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.86
Rot. Bonds5

About 4,5-dimethoxy-2-(tetrazol-1-yl)-N-(2,4,6-trimethylphenyl)benzamide

4,5-dimethoxy-2-(tetrazol-1-yl)-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 647702) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(tetrazol-1-yl)-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name4,5-dimethoxy-2-(tetrazol-1-yl)-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID647702
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name4,5-dimethoxy-2-(tetrazol-1-yl)-N-(2,4,6-trimethylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2c(C)cc(C)cc2C)c(-n2cnnn2)cc1OC
InChIInChI=1S/C19H21N5O3/c1-11-6-12(2)18(13(3)7-11)21-19(25)14-8-16(26-4)17(27-5)9-15(14)24-10-20-22-23-24/h6-10H,1-5H3,(H,21,25)
InChIKeyNFOTWEZTCHQKDO-UHFFFAOYSA-N
XLogP2.86
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(tetrazol-1-yl)-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 4,5-dimethoxy-2-(tetrazol-1-yl)-N-(2,4,6-trimethylphenyl)benzamide (CID 647702) is 4,5-dimethoxy-2-(tetrazol-1-yl)-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 4,5-dimethoxy-2-(tetrazol-1-yl)-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 4,5-dimethoxy-2-(tetrazol-1-yl)-N-(2,4,6-trimethylphenyl)benzamide is COc1cc(C(=O)Nc2c(C)cc(C)cc2C)c(-n2cnnn2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-(tetrazol-1-yl)-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is NFOTWEZTCHQKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-11-6-12(2)18(13(3)7-11)21-19(25)14-8-16(26-4)17(27-5)9-15(14)24-10-20-22-23-24/h6-10H,1-5H3,(H,21,25).
What are the key properties of 4,5-dimethoxy-2-(tetrazol-1-yl)-N-(2,4,6-trimethylphenyl)benzamide?
4,5-dimethoxy-2-(tetrazol-1-yl)-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 367.41 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(tetrazol-1-yl)-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 647702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).