N-[(2-methoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide

C11H13N5O2 — CID 9268067

IUPACN-[(2-methoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide
SMILESCOc1ccccc1CNC(=O)Cn1cnnn1
InChIInChI=1S/C11H13N5O2/c1-18-10-5-3-2-4-9(10)6-12-11(17)7-16-8-13-14-15-16/h2-5,8H,6-7H2,1H3,(H,12,17)
InChIKeyBXZJSIFIPSVEIW-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.00
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide

N-[(2-methoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 9268067) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide
PubChem CID9268067
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide
SMILESCOc1ccccc1CNC(=O)Cn1cnnn1
InChIInChI=1S/C11H13N5O2/c1-18-10-5-3-2-4-9(10)6-12-11(17)7-16-8-13-14-15-16/h2-5,8H,6-7H2,1H3,(H,12,17)
InChIKeyBXZJSIFIPSVEIW-UHFFFAOYSA-N
XLogP-0.00
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide (CID 9268067) is N-[(2-methoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide is COc1ccccc1CNC(=O)Cn1cnnn1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is BXZJSIFIPSVEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-18-10-5-3-2-4-9(10)6-12-11(17)7-16-8-13-14-15-16/h2-5,8H,6-7H2,1H3,(H,12,17).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide?
N-[(2-methoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 247.26 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 9268067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).