2-(3-methylphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide

C12H15N5O2 — CID 60912147

IUPAC2-(3-methylphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
SMILESCc1cccc(OCC(=O)NC(C)c2nn[nH]n2)c1
InChIInChI=1S/C12H15N5O2/c1-8-4-3-5-10(6-8)19-7-11(18)13-9(2)12-14-16-17-15-12/h3-6,9H,7H2,1-2H3,(H,13,18)(H,14,15,16,17)
InChIKeyYMYGUKSRYDIRSQ-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.76
Rot. Bonds5

About 2-(3-methylphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide

2-(3-methylphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide (PubChem CID 60912147) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
PubChem CID60912147
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name2-(3-methylphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
SMILESCc1cccc(OCC(=O)NC(C)c2nn[nH]n2)c1
InChIInChI=1S/C12H15N5O2/c1-8-4-3-5-10(6-8)19-7-11(18)13-9(2)12-14-16-17-15-12/h3-6,9H,7H2,1-2H3,(H,13,18)(H,14,15,16,17)
InChIKeyYMYGUKSRYDIRSQ-UHFFFAOYSA-N
XLogP0.76
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60929201
2-(3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 99132930
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 26561387
2-(3-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 51140338
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 8751664
N-[(1R)-1-(2-bromophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 8759816
N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide
CID 110834120
3-propan-2-yloxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 62920337
2-(3-methylphenoxy)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720239
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
2-[[2-(3-methylphenoxy)acetyl]amino]-2-phenylacetamide
CID 47017240

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide (CID 60912147) is 2-(3-methylphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide is Cc1cccc(OCC(=O)NC(C)c2nn[nH]n2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide?
The InChIKey is YMYGUKSRYDIRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-4-3-5-10(6-8)19-7-11(18)13-9(2)12-14-16-17-15-12/h3-6,9H,7H2,1-2H3,(H,13,18)(H,14,15,16,17).
What are the key properties of 2-(3-methylphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide?
2-(3-methylphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide has a molecular weight of 261.29 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 60912147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).