N-(3,5-dimethylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide

C18H19N5O3 — CID 1169534

IUPACN-(3,5-dimethylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide
SMILESCOc1cc(C(=O)Nc2cc(C)cc(C)c2)c(-n2cnnn2)cc1OC
InChIInChI=1S/C18H19N5O3/c1-11-5-12(2)7-13(6-11)20-18(24)14-8-16(25-3)17(26-4)9-15(14)23-10-19-21-22-23/h5-10H,1-4H3,(H,20,24)
InChIKeyAWGGWMKNWVBQER-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.55
Rot. Bonds5

About N-(3,5-dimethylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide

N-(3,5-dimethylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide (PubChem CID 1169534) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide
PubChem CID1169534
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-(3,5-dimethylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide
SMILESCOc1cc(C(=O)Nc2cc(C)cc(C)c2)c(-n2cnnn2)cc1OC
InChIInChI=1S/C18H19N5O3/c1-11-5-12(2)7-13(6-11)20-18(24)14-8-16(25-3)17(26-4)9-15(14)23-10-19-21-22-23/h5-10H,1-4H3,(H,20,24)
InChIKeyAWGGWMKNWVBQER-UHFFFAOYSA-N
XLogP2.55
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide (CID 1169534) is N-(3,5-dimethylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide is COc1cc(C(=O)Nc2cc(C)cc(C)c2)c(-n2cnnn2)cc1OC.
What is the InChIKey of N-(3,5-dimethylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide?
The InChIKey is AWGGWMKNWVBQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-11-5-12(2)7-13(6-11)20-18(24)14-8-16(25-3)17(26-4)9-15(14)23-10-19-21-22-23/h5-10H,1-4H3,(H,20,24).
What are the key properties of N-(3,5-dimethylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide?
N-(3,5-dimethylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide has a molecular weight of 353.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 1169534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).