2-methoxy-N-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]acetamide

C17H23N5O2 — CID 3516136

IUPAC2-methoxy-N-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]acetamide
SMILESCOCC(=O)N(C)C1(c2nnnn2-c2ccccc2)CCCCC1
InChIInChI=1S/C17H23N5O2/c1-21(15(23)13-24-2)17(11-7-4-8-12-17)16-18-19-20-22(16)14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3
InChIKeyVPFBKOCNEVYHDB-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.93
Rot. Bonds5

About 2-methoxy-N-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]acetamide

2-methoxy-N-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]acetamide (PubChem CID 3516136) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]acetamide
PubChem CID3516136
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-methoxy-N-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]acetamide
SMILESCOCC(=O)N(C)C1(c2nnnn2-c2ccccc2)CCCCC1
InChIInChI=1S/C17H23N5O2/c1-21(15(23)13-24-2)17(11-7-4-8-12-17)16-18-19-20-22(16)14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3
InChIKeyVPFBKOCNEVYHDB-UHFFFAOYSA-N
XLogP1.93
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-1-(4-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)ethanone
CID 30937011
1-(2-Methoxyethyl)-4-[3-(1-phenyltetrazol-5-yl)propyl]piperazine
CID 53534390
N-{1-[1-(3-chlorophenyl)-1H-tetrazol-5-yl]cyclohexyl}-2-methoxyacetamide
CID 4238312
5-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-1-(2-methoxyethyl)-5-methylpyrrolidin-2-one
CID 53300785
1-(4-((1-(3,4-difluorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)-2-ethoxyethanone
CID 30858220
1-(4-{[1-(3-fluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}piperazin-1-yl)-2-methoxyethan-1-one
CID 30937487
4-[1-(1-phenyl-1H-tetrazol-5-yl)cyclopentyl]morpholine
CID 45600549
4-[2-(1-Phenyl-1H-1,2,3,4-tetrazol-5-YL)propan-2-YL]morpholine
CID 46829346
2,2,2-trifluoro-N-methyl-N-{1-methyl-1-[1-(4-methylphenyl)-1H-tetraazol-5-yl]propyl}acetamide
CID 56690067
2,2,2-trifluoro-N-methyl-N-{1-[1-(2-methylphenyl)-1H-tetraazol-5-yl]cyclohexyl}acetamide
CID 56698004
Tert-butyl 1-[(1-phenyltetrazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane-4-carboxylate
CID 71866192
1-(4-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)piperazin-1-yl)-2-methoxyethanone
CID 30857880

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]acetamide?
The IUPAC name of 2-methoxy-N-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]acetamide (CID 3516136) is 2-methoxy-N-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]acetamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]acetamide?
The canonical SMILES for 2-methoxy-N-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]acetamide is COCC(=O)N(C)C1(c2nnnn2-c2ccccc2)CCCCC1.
What is the InChIKey of 2-methoxy-N-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]acetamide?
The InChIKey is VPFBKOCNEVYHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-21(15(23)13-24-2)17(11-7-4-8-12-17)16-18-19-20-22(16)14-9-5-3-6-10-14/h3,5-6,9-10H,4,7-8,11-13H2,1-2H3.
What are the key properties of 2-methoxy-N-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]acetamide?
2-methoxy-N-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[1-(1-phenyltetrazol-5-yl)cyclohexyl]acetamide is sourced from PubChem (CID 3516136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).