methyl N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate

C19H25N5O4 — CID 30313782

IUPACmethyl N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate
SMILESCOC(=O)N(C)C1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(C)CC1
InChIInChI=1S/C19H25N5O4/c1-13-6-8-19(9-7-13,23(2)18(25)26-3)17-20-21-22-24(17)14-4-5-15-16(12-14)28-11-10-27-15/h4-5,12-13H,6-11H2,1-3H3
InChIKeyUIKQCBGWYYONNZ-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.54
Rot. Bonds3

About methyl N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate

methyl N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate (PubChem CID 30313782) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is methyl N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate
PubChem CID30313782
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Namemethyl N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate
SMILESCOC(=O)N(C)C1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(C)CC1
InChIInChI=1S/C19H25N5O4/c1-13-6-8-19(9-7-13,23(2)18(25)26-3)17-20-21-22-24(17)14-4-5-15-16(12-14)28-11-10-27-15/h4-5,12-13H,6-11H2,1-3H3
InChIKeyUIKQCBGWYYONNZ-UHFFFAOYSA-N
XLogP2.54
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate with MolForge

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Related Compounds

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
N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]cyclohexyl]-N-methylpropanamide
CID 30311028
N-methyl-N-[4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30313406
phenyl N-[1-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]cyclohexyl]-N-methylcarbamate
CID 30311398
N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-2,4-dimethylaniline
CID 30312545
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylbenzamide
CID 30313565
ethyl N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate
CID 30313837
ethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate
CID 30313814
1-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-1,3-dimethylurea
CID 30313624
ethyl 3-[5-[1-[benzoyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30313546
ethyl 4-[5-[1-[benzoyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30313542

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate?
The IUPAC name of methyl N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate (CID 30313782) is methyl N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate is COC(=O)N(C)C1(c2nnnn2-c2ccc3c(c2)OCCO3)CCC(C)CC1.
What is the InChIKey of methyl N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate?
The InChIKey is UIKQCBGWYYONNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-13-6-8-19(9-7-13,23(2)18(25)26-3)17-20-21-22-24(17)14-4-5-15-16(12-14)28-11-10-27-15/h4-5,12-13H,6-11H2,1-3H3.
What are the key properties of methyl N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate?
methyl N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate has a molecular weight of 387.44 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 30313782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).