N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

C19H19N5O3 — CID 1081765

IUPACN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)NCCc3ccc4c(c3)OCO4)n2)cc1
InChIInChI=1S/C19H19N5O3/c1-13-2-5-15(6-3-13)19-21-23-24(22-19)11-18(25)20-9-8-14-4-7-16-17(10-14)27-12-26-16/h2-7,10H,8-9,11-12H2,1H3,(H,20,25)
InChIKeyXPACDINUVWOJDR-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.74
Rot. Bonds6

About N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 1081765) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID1081765
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)NCCc3ccc4c(c3)OCO4)n2)cc1
InChIInChI=1S/C19H19N5O3/c1-13-2-5-15(6-3-13)19-21-23-24(22-19)11-18(25)20-9-8-14-4-7-16-17(10-14)27-12-26-16/h2-7,10H,8-9,11-12H2,1H3,(H,20,25)
InChIKeyXPACDINUVWOJDR-UHFFFAOYSA-N
XLogP1.74
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (CID 1081765) is N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccc(-c2nnn(CC(=O)NCCc3ccc4c(c3)OCO4)n2)cc1.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is XPACDINUVWOJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-13-2-5-15(6-3-13)19-21-23-24(22-19)11-18(25)20-9-8-14-4-7-16-17(10-14)27-12-26-16/h2-7,10H,8-9,11-12H2,1H3,(H,20,25).
What are the key properties of N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 365.39 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 1081765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).