ethyl 2-[[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]amino]acetate

C17H22ClN5O2 — CID 53297705

IUPACethyl 2-[[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]amino]acetate
SMILESCCOC(=O)CNC1(c2nnnn2-c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C17H22ClN5O2/c1-2-25-15(24)12-19-17(9-4-3-5-10-17)16-20-21-22-23(16)14-8-6-7-13(18)11-14/h6-8,11,19H,2-5,9-10,12H2,1H3
InChIKeyJZBVPUTVRLORKM-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.63
Rot. Bonds6

About ethyl 2-[[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]amino]acetate

ethyl 2-[[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]amino]acetate (PubChem CID 53297705) has the molecular formula C17H22ClN5O2 and a molecular weight of 363.85 g/mol. Its IUPAC name is ethyl 2-[[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]amino]acetate
PubChem CID53297705
Molecular FormulaC17H22ClN5O2
Molecular Weight363.85 g/mol
Exact Mass363.15
IUPAC Nameethyl 2-[[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]amino]acetate
SMILESCCOC(=O)CNC1(c2nnnn2-c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C17H22ClN5O2/c1-2-25-15(24)12-19-17(9-4-3-5-10-17)16-20-21-22-23(16)14-8-6-7-13(18)11-14/h6-8,11,19H,2-5,9-10,12H2,1H3
InChIKeyJZBVPUTVRLORKM-UHFFFAOYSA-N
XLogP2.63
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate
CID 30312714
ethyl 2-[[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]acetate
CID 30310135
ethyl 3-[5-[1-(4-methoxyanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30309882
1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine
CID 30311701
[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]-dimethylazanium
CID 7250269
ethyl 4-[5-(1-benzamidocyclohexyl)tetrazol-1-yl]benzoate
CID 30310329
methyl 2-[5-[1-[(2-ethoxy-2-oxoethyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30312689
4-chloro-N-[1-[1-(3-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
CID 50812242
N-benzyl-1-(1-phenyltetrazol-5-yl)cyclohexan-1-amine
CID 30312000
2-[[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]amino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135721486
ethyl 3-[5-[1-[ethoxycarbonyl(methyl)amino]cyclohexyl]tetrazol-1-yl]benzoate
CID 30311323
ethyl 2-[[2-[3-(3-chlorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylacetyl]amino]acetate
CID 7163468

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]amino]acetate?
The IUPAC name of ethyl 2-[[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]amino]acetate (CID 53297705) is ethyl 2-[[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]amino]acetate?
The canonical SMILES for ethyl 2-[[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]amino]acetate is CCOC(=O)CNC1(c2nnnn2-c2cccc(Cl)c2)CCCCC1.
What is the InChIKey of ethyl 2-[[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]amino]acetate?
The InChIKey is JZBVPUTVRLORKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O2/c1-2-25-15(24)12-19-17(9-4-3-5-10-17)16-20-21-22-23(16)14-8-6-7-13(18)11-14/h6-8,11,19H,2-5,9-10,12H2,1H3.
What are the key properties of ethyl 2-[[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]amino]acetate?
ethyl 2-[[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]amino]acetate has a molecular weight of 363.85 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]amino]acetate is sourced from PubChem (CID 53297705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).