N-methyl-N-[4-methyl-1-(1-phenyltetrazol-5-yl)cyclohexyl]benzamide

C22H25N5O — CID 30313521

IUPACN-methyl-N-[4-methyl-1-(1-phenyltetrazol-5-yl)cyclohexyl]benzamide
SMILESCC1CCC(c2nnnn2-c2ccccc2)(N(C)C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H25N5O/c1-17-13-15-22(16-14-17,26(2)20(28)18-9-5-3-6-10-18)21-23-24-25-27(21)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3
InChIKeyUXVPOHRMNWDMQU-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.84
Rot. Bonds4

About N-methyl-N-[4-methyl-1-(1-phenyltetrazol-5-yl)cyclohexyl]benzamide

N-methyl-N-[4-methyl-1-(1-phenyltetrazol-5-yl)cyclohexyl]benzamide (PubChem CID 30313521) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-methyl-N-[4-methyl-1-(1-phenyltetrazol-5-yl)cyclohexyl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[4-methyl-1-(1-phenyltetrazol-5-yl)cyclohexyl]benzamide
PubChem CID30313521
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-methyl-N-[4-methyl-1-(1-phenyltetrazol-5-yl)cyclohexyl]benzamide
SMILESCC1CCC(c2nnnn2-c2ccccc2)(N(C)C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H25N5O/c1-17-13-15-22(16-14-17,26(2)20(28)18-9-5-3-6-10-18)21-23-24-25-27(21)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3
InChIKeyUXVPOHRMNWDMQU-UHFFFAOYSA-N
XLogP3.84
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
ethyl 3-[5-[1-[benzoyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30313546
N-methyl-N-[4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30313406
methyl 2-[5-[1-[methoxycarbonyl(methyl)amino]-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30313787
methyl N-methyl-N-[4-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]carbamate
CID 30313762
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
2-methoxy-N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-N-methylacetamide
CID 30313473
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
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2-methoxy-N-methylacetamide
CID 30313505

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-methyl-1-(1-phenyltetrazol-5-yl)cyclohexyl]benzamide?
The IUPAC name of N-methyl-N-[4-methyl-1-(1-phenyltetrazol-5-yl)cyclohexyl]benzamide (CID 30313521) is N-methyl-N-[4-methyl-1-(1-phenyltetrazol-5-yl)cyclohexyl]benzamide.
What is the SMILES notation for N-methyl-N-[4-methyl-1-(1-phenyltetrazol-5-yl)cyclohexyl]benzamide?
The canonical SMILES for N-methyl-N-[4-methyl-1-(1-phenyltetrazol-5-yl)cyclohexyl]benzamide is CC1CCC(c2nnnn2-c2ccccc2)(N(C)C(=O)c2ccccc2)CC1.
What is the InChIKey of N-methyl-N-[4-methyl-1-(1-phenyltetrazol-5-yl)cyclohexyl]benzamide?
The InChIKey is UXVPOHRMNWDMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-17-13-15-22(16-14-17,26(2)20(28)18-9-5-3-6-10-18)21-23-24-25-27(21)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3.
What are the key properties of N-methyl-N-[4-methyl-1-(1-phenyltetrazol-5-yl)cyclohexyl]benzamide?
N-methyl-N-[4-methyl-1-(1-phenyltetrazol-5-yl)cyclohexyl]benzamide has a molecular weight of 375.48 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-methyl-1-(1-phenyltetrazol-5-yl)cyclohexyl]benzamide is sourced from PubChem (CID 30313521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).