N-benzyl-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide

C18H19N5O2 — CID 862265

IUPACN-benzyl-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide
SMILESCCOc1ccc(-c2nnn(CC(=O)NCc3ccccc3)n2)cc1
InChIInChI=1S/C18H19N5O2/c1-2-25-16-10-8-15(9-11-16)18-20-22-23(21-18)13-17(24)19-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,19,24)
InChIKeyHALQNUBDRHFHJV-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.06
Rot. Bonds7

About N-benzyl-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide

N-benzyl-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide (PubChem CID 862265) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-benzyl-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide
PubChem CID862265
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-benzyl-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide
SMILESCCOc1ccc(-c2nnn(CC(=O)NCc3ccccc3)n2)cc1
InChIInChI=1S/C18H19N5O2/c1-2-25-16-10-8-15(9-11-16)18-20-22-23(21-18)13-17(24)19-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,19,24)
InChIKeyHALQNUBDRHFHJV-UHFFFAOYSA-N
XLogP2.06
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-Methylpiperidin-1-yl)-2-[5-(4-propoxyphenyl)tetrazol-2-yl]ethanone
CID 3170934
2-(5-{4-[(2-methylbenzyl)oxy]phenyl}-2H-tetrazol-2-yl)-N-(3-methylpent-1-yn-3-yl)acetamide
CID 5295727
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]-1-oxoethyl]amino]-N-cyclopentylpropanamide
CID 650573
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-propan-2-ylpropanamide
CID 53347943
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopropylpropanamide
CID 53347986
2-[cyclohexyl-[2-[5-(3-methoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentylpropanamide
CID 53347995
N,N-dimethyl-5-(4-phenoxyphenyl)tetrazole-2-carboxamide
CID 72197623
2-[5-(4-Ethoxy-phenyl)-tetrazol-2-yl]-N-furan-2-ylmethyl-acetamide
CID 644706
2-[5-(4-butoxyphenyl)-2-tetrazolyl]-N-(2-furanylmethyl)acetamide
CID 644791
2-[5-(4-Isobutoxy-phenyl)-tetrazol-2-yl]-1-pyrrolidin-1-yl-ethanone
CID 650932
2-[5-(3,4-Diethoxy-phenyl)-tetrazol-2-yl]-N-(4-fluoro-benzyl)-acetamide
CID 654571
N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-[5-(2,3-dimethoxy-phenyl)-tetrazol-2-yl]-acetamide
CID 655665

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-benzyl-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide (CID 862265) is N-benzyl-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-benzyl-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide is CCOc1ccc(-c2nnn(CC(=O)NCc3ccccc3)n2)cc1.
What is the InChIKey of N-benzyl-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide?
The InChIKey is HALQNUBDRHFHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-2-25-16-10-8-15(9-11-16)18-20-22-23(21-18)13-17(24)19-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,19,24).
What are the key properties of N-benzyl-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide?
N-benzyl-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[5-(4-ethoxyphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 862265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).