3-ethyl-1-methyl-1-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]urea

C18H26N6O — CID 30311128

IUPAC3-ethyl-1-methyl-1-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]urea
SMILESCCNC(=O)N(C)C1(c2nnnn2-c2ccccc2C)CCCCC1
InChIInChI=1S/C18H26N6O/c1-4-19-17(25)23(3)18(12-8-5-9-13-18)16-20-21-22-24(16)15-11-7-6-10-14(15)2/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,19,25)
InChIKeyHEWIICYAESMUPH-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.79
Rot. Bonds4

About 3-ethyl-1-methyl-1-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]urea

3-ethyl-1-methyl-1-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]urea (PubChem CID 30311128) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]urea.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]urea
PubChem CID30311128
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name3-ethyl-1-methyl-1-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]urea
SMILESCCNC(=O)N(C)C1(c2nnnn2-c2ccccc2C)CCCCC1
InChIInChI=1S/C18H26N6O/c1-4-19-17(25)23(3)18(12-8-5-9-13-18)16-20-21-22-24(16)15-11-7-6-10-14(15)2/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,19,25)
InChIKeyHEWIICYAESMUPH-UHFFFAOYSA-N
XLogP2.79
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine
CID 30311709
methyl N-methyl-N-[4-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]carbamate
CID 30313762
N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide
CID 30310310
2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30310249
methyl 2-[5-[1-(dimethylamino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30311605
N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylacetamide
CID 30310869
1-[1-(2-ethyl-6-methylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine
CID 3508864
1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine
CID 5024736
ethyl 3-[5-[1-[ethoxycarbonyl(methyl)amino]cyclohexyl]tetrazol-1-yl]benzoate
CID 30311323
1-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-1,3-dimethylurea
CID 30313624
N-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30310828
1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]-1,3-dimethylurea
CID 30311076

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]urea?
The IUPAC name of 3-ethyl-1-methyl-1-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]urea (CID 30311128) is 3-ethyl-1-methyl-1-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]urea.
What is the SMILES notation for 3-ethyl-1-methyl-1-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]urea?
The canonical SMILES for 3-ethyl-1-methyl-1-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]urea is CCNC(=O)N(C)C1(c2nnnn2-c2ccccc2C)CCCCC1.
What is the InChIKey of 3-ethyl-1-methyl-1-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]urea?
The InChIKey is HEWIICYAESMUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-4-19-17(25)23(3)18(12-8-5-9-13-18)16-20-21-22-24(16)15-11-7-6-10-14(15)2/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,19,25).
What are the key properties of 3-ethyl-1-methyl-1-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]urea?
3-ethyl-1-methyl-1-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]urea has a molecular weight of 342.45 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]urea is sourced from PubChem (CID 30311128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).