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

C18H19N5O3 — CID 8004402

IUPAC3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1OC
InChIInChI=1S/C18H19N5O3/c1-3-10-26-16-9-4-13(11-17(16)25-2)18(24)20-14-5-7-15(8-6-14)23-12-19-21-22-23/h4-9,11-12H,3,10H2,1-2H3,(H,20,24)
InChIKeyQSKCQLPZTXLPDX-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.71
Rot. Bonds7

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

3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide (PubChem CID 8004402) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
PubChem CID8004402
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1OC
InChIInChI=1S/C18H19N5O3/c1-3-10-26-16-9-4-13(11-17(16)25-2)18(24)20-14-5-7-15(8-6-14)23-12-19-21-22-23/h4-9,11-12H,3,10H2,1-2H3,(H,20,24)
InChIKeyQSKCQLPZTXLPDX-UHFFFAOYSA-N
XLogP2.71
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-butoxy-3-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729178
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-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-4-(tetrazol-1-yl)benzamide
CID 42998205
4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide
CID 55601488
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
N-(3,5-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2683270
methyl 4-[[3-methoxy-4-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 1140637
3,4-diethoxy-N'-[4-(tetrazol-1-yl)benzoyl]benzohydrazide
CID 30879445
N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide
CID 119420223
methyl 2-[2-methoxy-4-(tetrazol-1-yl)phenoxy]acetate
CID 16766125

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide (CID 8004402) is 3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide is CCCOc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1OC.
What is the InChIKey of 3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide?
The InChIKey is QSKCQLPZTXLPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-3-10-26-16-9-4-13(11-17(16)25-2)18(24)20-14-5-7-15(8-6-14)23-12-19-21-22-23/h4-9,11-12H,3,10H2,1-2H3,(H,20,24).
What are the key properties of 3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide?
3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide has a molecular weight of 353.38 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-propoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 8004402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).