ethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate

C19H27N5O3 — CID 30313814

IUPACethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)C1(c2nnnn2-c2ccccc2OC)CCC(C)CC1
InChIInChI=1S/C19H27N5O3/c1-5-27-18(25)23(3)19(12-10-14(2)11-13-19)17-20-21-22-24(17)15-8-6-7-9-16(15)26-4/h6-9,14H,5,10-13H2,1-4H3
InChIKeyKOUYGCORAPMCHN-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.16
Rot. Bonds5

About ethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate

ethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate (PubChem CID 30313814) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is ethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate
PubChem CID30313814
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Nameethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)C1(c2nnnn2-c2ccccc2OC)CCC(C)CC1
InChIInChI=1S/C19H27N5O3/c1-5-27-18(25)23(3)19(12-10-14(2)11-13-19)17-20-21-22-24(17)15-8-6-7-9-16(15)26-4/h6-9,14H,5,10-13H2,1-4H3
InChIKeyKOUYGCORAPMCHN-UHFFFAOYSA-N
XLogP3.16
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylacetamide
CID 30313473
1-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-1,3-dimethylurea
CID 30313624
ethyl N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate
CID 30313837
methyl N-methyl-N-[4-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]carbamate
CID 30313762
methyl 2-[5-[1-[methoxycarbonyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30313787
1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine
CID 30312238
ethyl 4-[5-[1-[benzoyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30313542
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2-methoxy-N-methylacetamide
CID 30313505
ethyl 3-[5-[1-[benzoyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30313546
N-benzyl-1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine
CID 30314584
ethyl 2-[[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]acetate
CID 30310135
ethyl 3-[5-[1-[ethoxycarbonyl(methyl)amino]cyclohexyl]tetrazol-1-yl]benzoate
CID 30311323

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate?
The IUPAC name of ethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate (CID 30313814) is ethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate is CCOC(=O)N(C)C1(c2nnnn2-c2ccccc2OC)CCC(C)CC1.
What is the InChIKey of ethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate?
The InChIKey is KOUYGCORAPMCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-5-27-18(25)23(3)19(12-10-14(2)11-13-19)17-20-21-22-24(17)15-8-6-7-9-16(15)26-4/h6-9,14H,5,10-13H2,1-4H3.
What are the key properties of ethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate?
ethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate has a molecular weight of 373.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 30313814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).