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

C16H21N5O3 — CID 30310660

IUPACmethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]carbamate
SMILESCOC(=O)NC1(c2nnnn2-c2ccccc2OC)CCCCC1
InChIInChI=1S/C16H21N5O3/c1-23-13-9-5-4-8-12(13)21-14(18-19-20-21)16(17-15(22)24-2)10-6-3-7-11-16/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,17,22)
InChIKeyHKCNBMCJAAZBOE-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.19
Rot. Bonds4

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

methyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]carbamate (PubChem CID 30310660) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is methyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]carbamate
PubChem CID30310660
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Namemethyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]carbamate
SMILESCOC(=O)NC1(c2nnnn2-c2ccccc2OC)CCCCC1
InChIInChI=1S/C16H21N5O3/c1-23-13-9-5-4-8-12(13)21-14(18-19-20-21)16(17-15(22)24-2)10-6-3-7-11-16/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,17,22)
InChIKeyHKCNBMCJAAZBOE-UHFFFAOYSA-N
XLogP2.19
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]acetate
CID 30310135
2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30310249
phenyl N-[1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]cyclohexyl]carbamate
CID 30310810
N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide
CID 30310310
N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30310198
1-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-1,3-dimethylurea
CID 30313624
N-benzyl-1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine
CID 30314584
1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexan-1-amine
CID 30312238
N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]benzamide
CID 30310326
methyl 2-[5-[1-(dimethylamino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30311605
3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
CID 3417186
2-methoxy-N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylacetamide
CID 30313473

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]carbamate?
The IUPAC name of methyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]carbamate (CID 30310660) is methyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]carbamate.
What is the SMILES notation for methyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]carbamate?
The canonical SMILES for methyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]carbamate is COC(=O)NC1(c2nnnn2-c2ccccc2OC)CCCCC1.
What is the InChIKey of methyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]carbamate?
The InChIKey is HKCNBMCJAAZBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-23-13-9-5-4-8-12(13)21-14(18-19-20-21)16(17-15(22)24-2)10-6-3-7-11-16/h4-5,8-9H,3,6-7,10-11H2,1-2H3,(H,17,22).
What are the key properties of methyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]carbamate?
methyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]carbamate has a molecular weight of 331.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]carbamate is sourced from PubChem (CID 30310660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).