N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide

C18H17N5O5 — CID 653097

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(-n2cnnn2)cc1OC
InChIInChI=1S/C18H17N5O5/c1-25-15-8-12(13(9-16(15)26-2)23-10-19-21-22-23)18(24)20-11-3-4-14-17(7-11)28-6-5-27-14/h3-4,7-10H,5-6H2,1-2H3,(H,20,24)
InChIKeyCWKHWSAMAAAUEN-UHFFFAOYSA-N
MW383.36 g/mol
LogP1.70
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide (PubChem CID 653097) has the molecular formula C18H17N5O5 and a molecular weight of 383.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide
PubChem CID653097
Molecular FormulaC18H17N5O5
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(-n2cnnn2)cc1OC
InChIInChI=1S/C18H17N5O5/c1-25-15-8-12(13(9-16(15)26-2)23-10-19-21-22-23)18(24)20-11-3-4-14-17(7-11)28-6-5-27-14/h3-4,7-10H,5-6H2,1-2H3,(H,20,24)
InChIKeyCWKHWSAMAAAUEN-UHFFFAOYSA-N
XLogP1.70
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3,4-dimethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
CID 131801162
N-(2-(1H-1,2,4-Triazol-1-yl)-5-(trifluoromethoxy)phenyl)-4-(cyclopropylmethoxy)-3-methoxybenzamide
CID 137321168
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(tetrazol-1-yl)propanamide
CID 5298123
4-butoxy-3-methoxy-N-[3-(1H-tetrazol-1-yl)phenyl]benzamide
CID 8035452
N-[2-(3,4-diethoxyphenyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 25162346
4-ethoxy-3-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
CID 145953031
3-methoxy-4-propan-2-yloxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
CID 145955650
3-methoxy-4-propoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
CID 145958691
N-(2-(1H-1,2,4-Triazol-1-yl)-5-(trifluoromethoxy)phenyl)-4-cyclopropoxy-3-methoxybenzamide
CID 145958897
4-cyclobutyloxy-3-methoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethoxy)phenyl]benzamide
CID 168283516
N-(5-Chloro-2-methyl-phenyl)-4,5-dimethoxy-2-tetrazol-1-yl-benzamide
CID 650380
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-2-(tetrazol-1-yl)benzamide
CID 16259852

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide (CID 653097) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide is COc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(-n2cnnn2)cc1OC.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide?
The InChIKey is CWKHWSAMAAAUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O5/c1-25-15-8-12(13(9-16(15)26-2)23-10-19-21-22-23)18(24)20-11-3-4-14-17(7-11)28-6-5-27-14/h3-4,7-10H,5-6H2,1-2H3,(H,20,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide has a molecular weight of 383.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dimethoxy-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 653097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).