N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide

C21H19N5O2 — CID 134011749

IUPACN-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1ccc(N(Cc2ccco2)C(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H19N5O2/c1-16-9-11-18(12-10-16)25(14-19-8-5-13-28-19)20(27)15-26-23-21(22-24-26)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3
InChIKeyKZYCJWJHASRXRY-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.47
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide

N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide (PubChem CID 134011749) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
PubChem CID134011749
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
SMILESCc1ccc(N(Cc2ccco2)C(=O)Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C21H19N5O2/c1-16-9-11-18(12-10-16)25(14-19-8-5-13-28-19)20(27)15-26-23-21(22-24-26)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3
InChIKeyKZYCJWJHASRXRY-UHFFFAOYSA-N
XLogP3.47
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide (CID 134011749) is N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide is Cc1ccc(N(Cc2ccco2)C(=O)Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
The InChIKey is KZYCJWJHASRXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-16-9-11-18(12-10-16)25(14-19-8-5-13-28-19)20(27)15-26-23-21(22-24-26)17-6-3-2-4-7-17/h2-13H,14-15H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide?
N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide has a molecular weight of 373.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide is sourced from PubChem (CID 134011749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).