N-(4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide

C18H19N5O3 — CID 177372542

IUPACN-(4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)Cn2nnc(-c3cccc(OC)c3)n2)cc1
InChIInChI=1S/C18H19N5O3/c1-22(14-7-9-15(25-2)10-8-14)17(24)12-23-20-18(19-21-23)13-5-4-6-16(11-13)26-3/h4-11H,12H2,1-3H3
InChIKeyXUGSPLCFOQWFNQ-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.02
Rot. Bonds6

About N-(4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide

N-(4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide (PubChem CID 177372542) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide
PubChem CID177372542
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-(4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)Cn2nnc(-c3cccc(OC)c3)n2)cc1
InChIInChI=1S/C18H19N5O3/c1-22(14-7-9-15(25-2)10-8-14)17(24)12-23-20-18(19-21-23)13-5-4-6-16(11-13)26-3/h4-11H,12H2,1-3H3
InChIKeyXUGSPLCFOQWFNQ-UHFFFAOYSA-N
XLogP2.02
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide (CID 177372542) is N-(4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide is COc1ccc(N(C)C(=O)Cn2nnc(-c3cccc(OC)c3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide?
The InChIKey is XUGSPLCFOQWFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-22(14-7-9-15(25-2)10-8-14)17(24)12-23-20-18(19-21-23)13-5-4-6-16(11-13)26-3/h4-11H,12H2,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide?
N-(4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide has a molecular weight of 353.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]-N-methylacetamide is sourced from PubChem (CID 177372542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).