ethyl 4-[5-[4-methyl-1-(methylamino)cyclohexyl]tetrazol-1-yl]benzoate

C18H25N5O2 — CID 30312929

IUPACethyl 4-[5-[4-methyl-1-(methylamino)cyclohexyl]tetrazol-1-yl]benzoate
SMILESCCOC(=O)c1ccc(-n2nnnc2C2(NC)CCC(C)CC2)cc1
InChIInChI=1S/C18H25N5O2/c1-4-25-16(24)14-5-7-15(8-6-14)23-17(20-21-22-23)18(19-3)11-9-13(2)10-12-18/h5-8,13,19H,4,9-12H2,1-3H3
InChIKeyCMOVBKRTGJURPB-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.46
Rot. Bonds5

About ethyl 4-[5-[4-methyl-1-(methylamino)cyclohexyl]tetrazol-1-yl]benzoate

ethyl 4-[5-[4-methyl-1-(methylamino)cyclohexyl]tetrazol-1-yl]benzoate (PubChem CID 30312929) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is ethyl 4-[5-[4-methyl-1-(methylamino)cyclohexyl]tetrazol-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[5-[4-methyl-1-(methylamino)cyclohexyl]tetrazol-1-yl]benzoate
PubChem CID30312929
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Nameethyl 4-[5-[4-methyl-1-(methylamino)cyclohexyl]tetrazol-1-yl]benzoate
SMILESCCOC(=O)c1ccc(-n2nnnc2C2(NC)CCC(C)CC2)cc1
InChIInChI=1S/C18H25N5O2/c1-4-25-16(24)14-5-7-15(8-6-14)23-17(20-21-22-23)18(19-3)11-9-13(2)10-12-18/h5-8,13,19H,4,9-12H2,1-3H3
InChIKeyCMOVBKRTGJURPB-UHFFFAOYSA-N
XLogP2.46
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[5-[4-methyl-1-(4-methylanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30312316
ethyl 4-[5-[1-[benzoyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30313542
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
ethyl 4-[5-(1-benzamidocyclohexyl)tetrazol-1-yl]benzoate
CID 30310329
ethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate
CID 30312714
methyl 2-[5-[1-[(2-ethoxy-2-oxoethyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30312689
N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide
CID 30313030
ethyl 3-[5-(4-methyl-1-morpholin-4-ylcyclohexyl)tetrazol-1-yl]benzoate
CID 30314325
N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline
CID 30312310
ethyl 4-[5-(2-aminoethyl)tetrazol-1-yl]benzoate
CID 82227969
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide
CID 30312897

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-[4-methyl-1-(methylamino)cyclohexyl]tetrazol-1-yl]benzoate?
The IUPAC name of ethyl 4-[5-[4-methyl-1-(methylamino)cyclohexyl]tetrazol-1-yl]benzoate (CID 30312929) is ethyl 4-[5-[4-methyl-1-(methylamino)cyclohexyl]tetrazol-1-yl]benzoate.
What is the SMILES notation for ethyl 4-[5-[4-methyl-1-(methylamino)cyclohexyl]tetrazol-1-yl]benzoate?
The canonical SMILES for ethyl 4-[5-[4-methyl-1-(methylamino)cyclohexyl]tetrazol-1-yl]benzoate is CCOC(=O)c1ccc(-n2nnnc2C2(NC)CCC(C)CC2)cc1.
What is the InChIKey of ethyl 4-[5-[4-methyl-1-(methylamino)cyclohexyl]tetrazol-1-yl]benzoate?
The InChIKey is CMOVBKRTGJURPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-4-25-16(24)14-5-7-15(8-6-14)23-17(20-21-22-23)18(19-3)11-9-13(2)10-12-18/h5-8,13,19H,4,9-12H2,1-3H3.
What are the key properties of ethyl 4-[5-[4-methyl-1-(methylamino)cyclohexyl]tetrazol-1-yl]benzoate?
ethyl 4-[5-[4-methyl-1-(methylamino)cyclohexyl]tetrazol-1-yl]benzoate has a molecular weight of 343.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-[4-methyl-1-(methylamino)cyclohexyl]tetrazol-1-yl]benzoate is sourced from PubChem (CID 30312929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).