N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide

C24H23N5O2 — CID 118737182

IUPACN-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C24H23N5O2/c1-3-6-17-9-11-18(12-10-17)24(30)25-22-8-5-4-7-21(22)23-26-28-29(27-23)19-13-15-20(31-2)16-14-19/h4-5,7-16H,3,6H2,1-2H3,(H,25,30)
InChIKeyUZAOMABSLCWJBI-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.54
Rot. Bonds7

About N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide

N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide (PubChem CID 118737182) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide
PubChem CID118737182
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C24H23N5O2/c1-3-6-17-9-11-18(12-10-17)24(30)25-22-8-5-4-7-21(22)23-26-28-29(27-23)19-13-15-20(31-2)16-14-19/h4-5,7-16H,3,6H2,1-2H3,(H,25,30)
InChIKeyUZAOMABSLCWJBI-UHFFFAOYSA-N
XLogP4.54
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide (CID 118737182) is N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide is CCCc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide?
The InChIKey is UZAOMABSLCWJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-3-6-17-9-11-18(12-10-17)24(30)25-22-8-5-4-7-21(22)23-26-28-29(27-23)19-13-15-20(31-2)16-14-19/h4-5,7-16H,3,6H2,1-2H3,(H,25,30).
What are the key properties of N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide?
N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide has a molecular weight of 413.48 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)tetrazol-5-yl]phenyl]-4-propylbenzamide is sourced from PubChem (CID 118737182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).