methyl N-methyl-N-[4-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]carbamate

C18H25N5O2 — CID 30313762

IUPACmethyl N-methyl-N-[4-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]carbamate
SMILESCOC(=O)N(C)C1(c2nnnn2-c2ccccc2C)CCC(C)CC1
InChIInChI=1S/C18H25N5O2/c1-13-9-11-18(12-10-13,22(3)17(24)25-4)16-19-20-21-23(16)15-8-6-5-7-14(15)2/h5-8,13H,9-12H2,1-4H3
InChIKeyOEIDALUWUCHFJK-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.07
Rot. Bonds3

About methyl N-methyl-N-[4-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]carbamate

methyl N-methyl-N-[4-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]carbamate (PubChem CID 30313762) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is methyl N-methyl-N-[4-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[4-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]carbamate
PubChem CID30313762
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Namemethyl N-methyl-N-[4-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]carbamate
SMILESCOC(=O)N(C)C1(c2nnnn2-c2ccccc2C)CCC(C)CC1
InChIInChI=1S/C18H25N5O2/c1-13-9-11-18(12-10-13,22(3)17(24)25-4)16-19-20-21-23(16)15-8-6-5-7-14(15)2/h5-8,13H,9-12H2,1-4H3
InChIKeyOEIDALUWUCHFJK-UHFFFAOYSA-N
XLogP3.07
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[5-[1-[methoxycarbonyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30313787
ethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate
CID 30313814
ethyl N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate
CID 30313837
1-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-1,3-dimethylurea
CID 30313624
methyl N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylcarbamate
CID 30313782
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2-methoxy-N-methylacetamide
CID 30313505
2-methoxy-N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylacetamide
CID 30313473
3-ethyl-1-methyl-1-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]urea
CID 30311128
N-methyl-N-[4-methyl-1-(1-phenyltetrazol-5-yl)cyclohexyl]benzamide
CID 30313521
N-methyl-N-[4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30313406
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylbenzamide
CID 30313565
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-methyl-N-[4-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]carbamate?
The IUPAC name of methyl N-methyl-N-[4-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]carbamate (CID 30313762) is methyl N-methyl-N-[4-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[4-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]carbamate?
The canonical SMILES for methyl N-methyl-N-[4-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]carbamate is COC(=O)N(C)C1(c2nnnn2-c2ccccc2C)CCC(C)CC1.
What is the InChIKey of methyl N-methyl-N-[4-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]carbamate?
The InChIKey is OEIDALUWUCHFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-9-11-18(12-10-13,22(3)17(24)25-4)16-19-20-21-23(16)15-8-6-5-7-14(15)2/h5-8,13H,9-12H2,1-4H3.
What are the key properties of methyl N-methyl-N-[4-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]carbamate?
methyl N-methyl-N-[4-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]carbamate has a molecular weight of 343.43 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[4-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]carbamate is sourced from PubChem (CID 30313762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).