2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide

C12H15N5O3 — CID 60929201

IUPAC2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
SMILESCOc1ccc(OCC(=O)NC(C)c2nn[nH]n2)cc1
InChIInChI=1S/C12H15N5O3/c1-8(12-14-16-17-15-12)13-11(18)7-20-10-5-3-9(19-2)4-6-10/h3-6,8H,7H2,1-2H3,(H,13,18)(H,14,15,16,17)
InChIKeyYFCYRLNAQHPYTJ-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.46
Rot. Bonds6

About 2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide

2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide (PubChem CID 60929201) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
PubChem CID60929201
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
SMILESCOc1ccc(OCC(=O)NC(C)c2nn[nH]n2)cc1
InChIInChI=1S/C12H15N5O3/c1-8(12-14-16-17-15-12)13-11(18)7-20-10-5-3-9(19-2)4-6-10/h3-6,8H,7H2,1-2H3,(H,13,18)(H,14,15,16,17)
InChIKeyYFCYRLNAQHPYTJ-UHFFFAOYSA-N
XLogP0.46
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60910753
2-(3-methylphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60912147
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 112603262
2-(4-chlorophenyl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60929808
N-[(2R)-1-hydroxypropan-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 79031134
[(1S,2S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)propyl]carbamic acid
CID 135238899
N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 110834177
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18124163
2-(4-methoxyphenoxy)-N-pentan-3-ylacetamide
CID 877838
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 65313044
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048684

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide (CID 60929201) is 2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide is COc1ccc(OCC(=O)NC(C)c2nn[nH]n2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide?
The InChIKey is YFCYRLNAQHPYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-8(12-14-16-17-15-12)13-11(18)7-20-10-5-3-9(19-2)4-6-10/h3-6,8H,7H2,1-2H3,(H,13,18)(H,14,15,16,17).
What are the key properties of 2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide?
2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide has a molecular weight of 277.28 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 60929201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).