2-(3,4-dimethoxyphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide

C17H17N5O3 — CID 4797347

IUPAC2-(3,4-dimethoxyphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-n3cnnn3)cc2)cc1OC
InChIInChI=1S/C17H17N5O3/c1-24-15-8-3-12(9-16(15)25-2)10-17(23)19-13-4-6-14(7-5-13)22-11-18-20-21-22/h3-9,11H,10H2,1-2H3,(H,19,23)
InChIKeyLYKYYEFUJBVFJG-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.86
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 4797347) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID4797347
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-n3cnnn3)cc2)cc1OC
InChIInChI=1S/C17H17N5O3/c1-24-15-8-3-12(9-16(15)25-2)10-17(23)19-13-4-6-14(7-5-13)22-11-18-20-21-22/h3-9,11H,10H2,1-2H3,(H,19,23)
InChIKeyLYKYYEFUJBVFJG-UHFFFAOYSA-N
XLogP1.86
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide (CID 4797347) is 2-(3,4-dimethoxyphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(-n3cnnn3)cc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is LYKYYEFUJBVFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-24-15-8-3-12(9-16(15)25-2)10-17(23)19-13-4-6-14(7-5-13)22-11-18-20-21-22/h3-9,11H,10H2,1-2H3,(H,19,23).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 339.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 4797347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).