ethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate

C19H27N5O3 — CID 30312714

IUPACethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate
SMILESCCOC(=O)CNC1(c2nnnn2-c2cccc(OC)c2)CCC(C)CC1
InChIInChI=1S/C19H27N5O3/c1-4-27-17(25)13-20-19(10-8-14(2)9-11-19)18-21-22-23-24(18)15-6-5-7-16(12-15)26-3/h5-7,12,14,20H,4,8-11,13H2,1-3H3
InChIKeyASPSYFQMMZWRHD-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.23
Rot. Bonds7

About ethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate

ethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate (PubChem CID 30312714) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is ethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate
PubChem CID30312714
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Nameethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate
SMILESCCOC(=O)CNC1(c2nnnn2-c2cccc(OC)c2)CCC(C)CC1
InChIInChI=1S/C19H27N5O3/c1-4-27-17(25)13-20-19(10-8-14(2)9-11-19)18-21-22-23-24(18)15-6-5-7-16(12-15)26-3/h5-7,12,14,20H,4,8-11,13H2,1-3H3
InChIKeyASPSYFQMMZWRHD-UHFFFAOYSA-N
XLogP2.23
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate with MolForge

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Related Compounds

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
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide
CID 30312897
ethyl 3-[5-[4-methyl-1-(4-methylanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30312319
ethyl 3-[5-[1-(3,5-dimethylanilino)-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30312601
1-[1-(3-methoxyphenyl)tetrazol-5-yl]-N-propylcyclohexan-1-amine
CID 30311701
ethyl 4-[5-[4-methyl-1-(methylamino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30312929
ethyl 2-[[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]acetate
CID 30310135
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylbenzamide
CID 30313565
ethyl 4-[5-[4-methyl-1-(4-methylanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30312316
ethyl 3-[5-[1-(4-methoxyanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30309882
N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline
CID 30312310

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate?
The IUPAC name of ethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate (CID 30312714) is ethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate?
The canonical SMILES for ethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate is CCOC(=O)CNC1(c2nnnn2-c2cccc(OC)c2)CCC(C)CC1.
What is the InChIKey of ethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate?
The InChIKey is ASPSYFQMMZWRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-4-27-17(25)13-20-19(10-8-14(2)9-11-19)18-21-22-23-24(18)15-6-5-7-16(12-15)26-3/h5-7,12,14,20H,4,8-11,13H2,1-3H3.
What are the key properties of ethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate?
ethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate has a molecular weight of 373.46 g/mol, XLogP of 2.23, 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-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate is sourced from PubChem (CID 30312714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).