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

C17H23N5O — CID 30310828

IUPACN-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
SMILESCC(=O)N(C)C1(c2nnnn2-c2ccc(C)cc2)CCCCC1
InChIInChI=1S/C17H23N5O/c1-13-7-9-15(10-8-13)22-16(18-19-20-22)17(21(3)14(2)23)11-5-4-6-12-17/h7-10H,4-6,11-12H2,1-3H3
InChIKeyCQSAROKZFBNYGJ-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.61
Rot. Bonds3

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

N-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide (PubChem CID 30310828) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
PubChem CID30310828
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
SMILESCC(=O)N(C)C1(c2nnnn2-c2ccc(C)cc2)CCCCC1
InChIInChI=1S/C17H23N5O/c1-13-7-9-15(10-8-13)22-16(18-19-20-22)17(21(3)14(2)23)11-5-4-6-12-17/h7-10H,4-6,11-12H2,1-3H3
InChIKeyCQSAROKZFBNYGJ-UHFFFAOYSA-N
XLogP2.61
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30313406
N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]cyclohexyl]-N-methylacetamide
CID 30310869
1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]-1,3-dimethylurea
CID 30311076
N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]cyclohexyl]-N-methylpropanamide
CID 30311028
4-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 40530101
ethyl 3-[5-[1-[ethoxycarbonyl(methyl)amino]cyclohexyl]tetrazol-1-yl]benzoate
CID 30311323
1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N,N-dimethylcyclohexan-1-amine
CID 5024736
phenyl N-[1-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]cyclohexyl]-N-methylcarbamate
CID 30311398
3-ethyl-1-methyl-1-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]urea
CID 30311128
N,N-diethyl-4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine
CID 30314222
N-methyl-N-[4-methyl-1-(1-phenyltetrazol-5-yl)cyclohexyl]benzamide
CID 30313521
1-[1-(4-methylphenyl)tetrazol-5-yl]ethanone
CID 84670641

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide?
The IUPAC name of N-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide (CID 30310828) is N-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide.
What is the SMILES notation for N-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide?
The canonical SMILES for N-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide is CC(=O)N(C)C1(c2nnnn2-c2ccc(C)cc2)CCCCC1.
What is the InChIKey of N-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide?
The InChIKey is CQSAROKZFBNYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-7-9-15(10-8-13)22-16(18-19-20-22)17(21(3)14(2)23)11-5-4-6-12-17/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of N-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide?
N-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide has a molecular weight of 313.41 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide is sourced from PubChem (CID 30310828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).