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

C19H21N5O3 — CID 26729178

IUPAC4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1OC
InChIInChI=1S/C19H21N5O3/c1-3-4-11-27-17-10-5-14(12-18(17)26-2)19(25)21-15-6-8-16(9-7-15)24-13-20-22-23-24/h5-10,12-13H,3-4,11H2,1-2H3,(H,21,25)
InChIKeyJUKLXRCESOAWFD-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.10
Rot. Bonds8

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

4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 26729178) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
PubChem CID26729178
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1OC
InChIInChI=1S/C19H21N5O3/c1-3-4-11-27-17-10-5-14(12-18(17)26-2)19(25)21-15-6-8-16(9-7-15)24-13-20-22-23-24/h5-10,12-13H,3-4,11H2,1-2H3,(H,21,25)
InChIKeyJUKLXRCESOAWFD-UHFFFAOYSA-N
XLogP3.10
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 8004402
N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998205
3,4,5-trimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 17012125
4-ethoxy-3-methoxy-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 31504000
4-bromo-3,5-dimethoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26705752
N-(2-butoxy-5-methoxyphenyl)-3-(tetrazol-1-yl)benzamide
CID 35362853
4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide
CID 55601488
4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide
CID 60589873
4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846
4-butoxy-3-methoxy-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219667
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 1140637

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide (CID 26729178) is 4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1OC.
What is the InChIKey of 4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is JUKLXRCESOAWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-3-4-11-27-17-10-5-14(12-18(17)26-2)19(25)21-15-6-8-16(9-7-15)24-13-20-22-23-24/h5-10,12-13H,3-4,11H2,1-2H3,(H,21,25).
What are the key properties of 4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide?
4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 367.41 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 26729178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).