N-(2-ethyltetrazol-5-yl)-2-(2-methylphenoxy)acetamide

C12H15N5O2 — CID 952984

IUPACN-(2-ethyltetrazol-5-yl)-2-(2-methylphenoxy)acetamide
SMILESCCn1nnc(NC(=O)COc2ccccc2C)n1
InChIInChI=1S/C12H15N5O2/c1-3-17-15-12(14-16-17)13-11(18)8-19-10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3,(H,13,15,18)
InChIKeyFDCDWKYKHGCICY-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.02
Rot. Bonds5

About N-(2-ethyltetrazol-5-yl)-2-(2-methylphenoxy)acetamide

N-(2-ethyltetrazol-5-yl)-2-(2-methylphenoxy)acetamide (PubChem CID 952984) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-(2-ethyltetrazol-5-yl)-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-ethyltetrazol-5-yl)-2-(2-methylphenoxy)acetamide
PubChem CID952984
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC NameN-(2-ethyltetrazol-5-yl)-2-(2-methylphenoxy)acetamide
SMILESCCn1nnc(NC(=O)COc2ccccc2C)n1
InChIInChI=1S/C12H15N5O2/c1-3-17-15-12(14-16-17)13-11(18)8-19-10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3,(H,13,15,18)
InChIKeyFDCDWKYKHGCICY-UHFFFAOYSA-N
XLogP1.02
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyltetrazol-5-yl)-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(2-ethyltetrazol-5-yl)-2-(2-methylphenoxy)acetamide (CID 952984) is N-(2-ethyltetrazol-5-yl)-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-ethyltetrazol-5-yl)-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(2-ethyltetrazol-5-yl)-2-(2-methylphenoxy)acetamide is CCn1nnc(NC(=O)COc2ccccc2C)n1.
What is the InChIKey of N-(2-ethyltetrazol-5-yl)-2-(2-methylphenoxy)acetamide?
The InChIKey is FDCDWKYKHGCICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-3-17-15-12(14-16-17)13-11(18)8-19-10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3,(H,13,15,18).
What are the key properties of N-(2-ethyltetrazol-5-yl)-2-(2-methylphenoxy)acetamide?
N-(2-ethyltetrazol-5-yl)-2-(2-methylphenoxy)acetamide has a molecular weight of 261.29 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyltetrazol-5-yl)-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 952984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).