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

C18H25N5O3 — CID 30310135

IUPACethyl 2-[[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]acetate
SMILESCCOC(=O)CNC1(c2nnnn2-c2ccccc2OC)CCCCC1
InChIInChI=1S/C18H25N5O3/c1-3-26-16(24)13-19-18(11-7-4-8-12-18)17-20-21-22-23(17)14-9-5-6-10-15(14)25-2/h5-6,9-10,19H,3-4,7-8,11-13H2,1-2H3
InChIKeyJJRFVJRHDZGPRW-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.98
Rot. Bonds7

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

ethyl 2-[[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]acetate (PubChem CID 30310135) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is ethyl 2-[[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]acetate
PubChem CID30310135
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Nameethyl 2-[[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]acetate
SMILESCCOC(=O)CNC1(c2nnnn2-c2ccccc2OC)CCCCC1
InChIInChI=1S/C18H25N5O3/c1-3-26-16(24)13-19-18(11-7-4-8-12-18)17-20-21-22-23(17)14-9-5-6-10-15(14)25-2/h5-6,9-10,19H,3-4,7-8,11-13H2,1-2H3
InChIKeyJJRFVJRHDZGPRW-UHFFFAOYSA-N
XLogP1.98
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]carbamate
CID 30310660
methyl 2-[5-[1-[(2-ethoxy-2-oxoethyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30312689
ethyl 2-[[1-[1-(3-chlorophenyl)tetrazol-5-yl]cyclohexyl]amino]acetate
CID 53297705
ethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate
CID 30312714
ethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate
CID 30313814
ethyl 2-[(1-phenylcyclohexyl)amino]acetate
CID 97355903
N-benzyl-1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine
CID 30314584
2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30310249
ethyl 4-[5-(1-benzamidocyclohexyl)tetrazol-1-yl]benzoate
CID 30310329
2-methoxy-N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylacetamide
CID 30313473
1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine
CID 30312238
N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide
CID 30310310

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]acetate?
The IUPAC name of ethyl 2-[[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]acetate (CID 30310135) is ethyl 2-[[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]acetate?
The canonical SMILES for ethyl 2-[[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]acetate is CCOC(=O)CNC1(c2nnnn2-c2ccccc2OC)CCCCC1.
What is the InChIKey of ethyl 2-[[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]acetate?
The InChIKey is JJRFVJRHDZGPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-3-26-16(24)13-19-18(11-7-4-8-12-18)17-20-21-22-23(17)14-9-5-6-10-15(14)25-2/h5-6,9-10,19H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of ethyl 2-[[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]acetate?
ethyl 2-[[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]acetate has a molecular weight of 359.43 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]acetate is sourced from PubChem (CID 30310135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).