2-methoxy-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]acetamide

C12H15N5O2 — CID 18565616

IUPAC2-methoxy-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]acetamide
SMILESCOCC(=O)NCc1nnnn1-c1ccc(C)cc1
InChIInChI=1S/C12H15N5O2/c1-9-3-5-10(6-4-9)17-11(14-15-16-17)7-13-12(18)8-19-2/h3-6H,7-8H2,1-2H3,(H,13,18)
InChIKeyKNKPMRYRRMXBCE-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.23
Rot. Bonds5

About 2-methoxy-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]acetamide

2-methoxy-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]acetamide (PubChem CID 18565616) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]acetamide
PubChem CID18565616
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name2-methoxy-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]acetamide
SMILESCOCC(=O)NCc1nnnn1-c1ccc(C)cc1
InChIInChI=1S/C12H15N5O2/c1-9-3-5-10(6-4-9)17-11(14-15-16-17)7-13-12(18)8-19-2/h3-6H,7-8H2,1-2H3,(H,13,18)
InChIKeyKNKPMRYRRMXBCE-UHFFFAOYSA-N
XLogP0.23
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 ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-3,3-diphenylpropanamide
CID 18565635
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 27451445
N-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]methanamine
CID 62737570
2-methoxy-N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]acetamide
CID 167858469
4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579947
N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 18565618
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 77082434
N-[(1-phenyltetrazol-5-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131928193
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 16799166
1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 18566113
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 22579866
N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579946

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]acetamide?
The IUPAC name of 2-methoxy-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]acetamide (CID 18565616) is 2-methoxy-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]acetamide is COCC(=O)NCc1nnnn1-c1ccc(C)cc1.
What is the InChIKey of 2-methoxy-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]acetamide?
The InChIKey is KNKPMRYRRMXBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-9-3-5-10(6-4-9)17-11(14-15-16-17)7-13-12(18)8-19-2/h3-6H,7-8H2,1-2H3,(H,13,18).
What are the key properties of 2-methoxy-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]acetamide?
2-methoxy-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]acetamide has a molecular weight of 261.29 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]acetamide is sourced from PubChem (CID 18565616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).