4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide

C17H17N5O3 — CID 31504000

IUPAC4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)cc1OC
InChIInChI=1S/C17H17N5O3/c1-3-25-15-8-7-12(9-16(15)24-2)17(23)19-13-5-4-6-14(10-13)22-11-18-20-21-22/h4-11H,3H2,1-2H3,(H,19,23)
InChIKeyJQVOUXNJBAOBHU-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.32
Rot. Bonds6

About 4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide

4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 31504000) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
PubChem CID31504000
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)cc1OC
InChIInChI=1S/C17H17N5O3/c1-3-25-15-8-7-12(9-16(15)24-2)17(23)19-13-5-4-6-14(10-13)22-11-18-20-21-22/h4-11H,3H2,1-2H3,(H,19,23)
InChIKeyJQVOUXNJBAOBHU-UHFFFAOYSA-N
XLogP2.32
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 8004402
4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729178
N-(3-acetamidophenyl)-4-ethoxy-3-methoxybenzamide
CID 26103493
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(tetrazol-1-yl)benzamide
CID 4968506
N-(2-ethoxypyrimidin-5-yl)-3-(tetrazol-1-yl)benzamide
CID 122302044
4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide
CID 55601488
3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid
CID 45426053
3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30879445
N-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-carboxamide
CID 39676955
N-(3-acetylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862153
4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 43702822
1-ethyl-N-[3-(tetrazol-1-yl)phenyl]benzotriazole-5-carboxamide
CID 8852352

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide (CID 31504000) is 4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is JQVOUXNJBAOBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-3-25-15-8-7-12(9-16(15)24-2)17(23)19-13-5-4-6-14(10-13)22-11-18-20-21-22/h4-11H,3H2,1-2H3,(H,19,23).
What are the key properties of 4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide?
4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 339.36 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 31504000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).