2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide

C17H23N5O2 — CID 30310249

IUPAC2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
SMILESCOCC(=O)NC1(c2nnnn2-c2ccccc2C)CCCCC1
InChIInChI=1S/C17H23N5O2/c1-13-8-4-5-9-14(13)22-16(19-20-21-22)17(10-6-3-7-11-17)18-15(23)12-24-2/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,18,23)
InChIKeyKDTFLBVETWIKBW-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.89
Rot. Bonds5

About 2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide

2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide (PubChem CID 30310249) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
PubChem CID30310249
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
SMILESCOCC(=O)NC1(c2nnnn2-c2ccccc2C)CCCCC1
InChIInChI=1S/C17H23N5O2/c1-13-8-4-5-9-14(13)22-16(19-20-21-22)17(10-6-3-7-11-17)18-15(23)12-24-2/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,18,23)
InChIKeyKDTFLBVETWIKBW-UHFFFAOYSA-N
XLogP1.89
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]benzamide
CID 30310310
methyl N-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]carbamate
CID 30310660
phenyl N-[1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]cyclohexyl]carbamate
CID 30310810
3-ethyl-1-methyl-1-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]urea
CID 30311128
N-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]cyclohexyl]benzamide
CID 30310326
3-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclopentyl]aniline
CID 3417186
3-methyl-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 30312170
ethyl 2-[[1-[1-(2-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]acetate
CID 30310135
N,N-diethyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexan-1-amine
CID 30311709
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclopentyl]-2,2,2-trifluoroacetamide
CID 171981918
methyl N-methyl-N-[4-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]carbamate
CID 30313762
ethyl 4-[5-(1-benzamidocyclohexyl)tetrazol-1-yl]benzoate
CID 30310329

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide?
The IUPAC name of 2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide (CID 30310249) is 2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide?
The canonical SMILES for 2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide is COCC(=O)NC1(c2nnnn2-c2ccccc2C)CCCCC1.
What is the InChIKey of 2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide?
The InChIKey is KDTFLBVETWIKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-13-8-4-5-9-14(13)22-16(19-20-21-22)17(10-6-3-7-11-17)18-15(23)12-24-2/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,18,23).
What are the key properties of 2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide?
2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide is sourced from PubChem (CID 30310249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).