N-(2-ethyltetrazol-5-yl)-2-(4-methylphenoxy)acetamide

C12H15N5O2 — CID 953022

IUPACN-(2-ethyltetrazol-5-yl)-2-(4-methylphenoxy)acetamide
SMILESCCn1nnc(NC(=O)COc2ccc(C)cc2)n1
InChIInChI=1S/C12H15N5O2/c1-3-17-15-12(14-16-17)13-11(18)8-19-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,13,15,18)
InChIKeyKGLGABAKBFJZBG-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.02
Rot. Bonds5

About N-(2-ethyltetrazol-5-yl)-2-(4-methylphenoxy)acetamide

N-(2-ethyltetrazol-5-yl)-2-(4-methylphenoxy)acetamide (PubChem CID 953022) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-(2-ethyltetrazol-5-yl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-ethyltetrazol-5-yl)-2-(4-methylphenoxy)acetamide
PubChem CID953022
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC NameN-(2-ethyltetrazol-5-yl)-2-(4-methylphenoxy)acetamide
SMILESCCn1nnc(NC(=O)COc2ccc(C)cc2)n1
InChIInChI=1S/C12H15N5O2/c1-3-17-15-12(14-16-17)13-11(18)8-19-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,13,15,18)
InChIKeyKGLGABAKBFJZBG-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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Related Compounds

2-(4-ethylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893388
2-(4-cyclohexylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 893627
2-(2-isopropyl-5-methylphenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 2193871
2-{4-[(5-Amino-tetrazol-1-ylamino)-methyl]-phenoxy}-N-tert-butyl-acetamide
CID 654110
2-(2,4-Dimethyl-phenoxy)-N-(2-methyl-2H-tetrazol-5-yl)-acetamide
CID 654531
2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 698942
2-phenoxy-N-(1H-tetrazol-5-yl)acetamide
CID 874260
2-(4-cyclohexylphenoxy)-N-(2-methyl-2H-tetrazol-5-yl)acetamide
CID 936003
2-(4-cyclohexylphenoxy)-N-(2-ethyl-2H-tetrazol-5-yl)acetamide
CID 953175
N-(2-butyl-2H-tetrazol-5-yl)-2-(2-isopropyl-5-methylphenoxy)acetamide
CID 2219063
2-(4-chlorophenoxy)-N-(2-propyl-2H-tetrazol-5-yl)acetamide
CID 648464
2-(4-ethylphenoxy)-N-(1-propyl-1H-tetraazol-5-yl)acetamide
CID 851477

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyltetrazol-5-yl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(2-ethyltetrazol-5-yl)-2-(4-methylphenoxy)acetamide (CID 953022) is N-(2-ethyltetrazol-5-yl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-ethyltetrazol-5-yl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(2-ethyltetrazol-5-yl)-2-(4-methylphenoxy)acetamide is CCn1nnc(NC(=O)COc2ccc(C)cc2)n1.
What is the InChIKey of N-(2-ethyltetrazol-5-yl)-2-(4-methylphenoxy)acetamide?
The InChIKey is KGLGABAKBFJZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-3-17-15-12(14-16-17)13-11(18)8-19-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,13,15,18).
What are the key properties of N-(2-ethyltetrazol-5-yl)-2-(4-methylphenoxy)acetamide?
N-(2-ethyltetrazol-5-yl)-2-(4-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-(4-methylphenoxy)acetamide is sourced from PubChem (CID 953022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).