N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide

C12H15N5O2 — CID 78779713

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
SMILESCOc1ccccc1CCNC(=O)Cn1cnnn1
InChIInChI=1S/C12H15N5O2/c1-19-11-5-3-2-4-10(11)6-7-13-12(18)8-17-9-14-15-16-17/h2-5,9H,6-8H2,1H3,(H,13,18)
InChIKeyJKVRKKOSYDFBQG-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.04
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide

N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 78779713) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
PubChem CID78779713
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
SMILESCOc1ccccc1CCNC(=O)Cn1cnnn1
InChIInChI=1S/C12H15N5O2/c1-19-11-5-3-2-4-10(11)6-7-13-12(18)8-17-9-14-15-16-17/h2-5,9H,6-8H2,1H3,(H,13,18)
InChIKeyJKVRKKOSYDFBQG-UHFFFAOYSA-N
XLogP0.04
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethylpyrrol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110688799
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093
N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51151935
N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112766496
N-[2-(2-methoxyphenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8594453
N-[2-(2-methoxyphenyl)ethyl]-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385650
N-[2-(2-methoxyphenyl)ethyl]-3,4-dimethyl-2-(tetrazol-1-yl)benzamide
CID 51049276
N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 26777809
2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110686709
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide (CID 78779713) is N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide is COc1ccccc1CCNC(=O)Cn1cnnn1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is JKVRKKOSYDFBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-19-11-5-3-2-4-10(11)6-7-13-12(18)8-17-9-14-15-16-17/h2-5,9H,6-8H2,1H3,(H,13,18).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide?
N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 261.29 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 78779713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).