N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide

C11H13N5O2 — CID 2559642

IUPACN-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1cnnn1
InChIInChI=1S/C11H13N5O2/c1-8-3-4-10(18-2)9(5-8)13-11(17)6-16-7-12-14-15-16/h3-5,7H,6H2,1-2H3,(H,13,17)
InChIKeyMRRXGLUWSLHNOO-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.63
Rot. Bonds4

About N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide

N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide (PubChem CID 2559642) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide
PubChem CID2559642
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)Cn1cnnn1
InChIInChI=1S/C11H13N5O2/c1-8-3-4-10(18-2)9(5-8)13-11(17)6-16-7-12-14-15-16/h3-5,7H,6H2,1-2H3,(H,13,17)
InChIKeyMRRXGLUWSLHNOO-UHFFFAOYSA-N
XLogP0.63
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide (CID 2559642) is N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide is COc1ccc(C)cc1NC(=O)Cn1cnnn1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is MRRXGLUWSLHNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-8-3-4-10(18-2)9(5-8)13-11(17)6-16-7-12-14-15-16/h3-5,7H,6H2,1-2H3,(H,13,17).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide?
N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 247.26 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 2559642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).