3-cyclohexyloxy-N-(2H-triazol-4-ylmethyl)benzamide

C16H20N4O2 — CID 75494574

IUPAC3-cyclohexyloxy-N-(2H-triazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cn[nH]n1)c1cccc(OC2CCCCC2)c1
InChIInChI=1S/C16H20N4O2/c21-16(17-10-13-11-18-20-19-13)12-5-4-8-15(9-12)22-14-6-2-1-3-7-14/h4-5,8-9,11,14H,1-3,6-7,10H2,(H,17,21)(H,18,19,20)
InChIKeyAHFDUQKLVDUOSF-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.45
Rot. Bonds5

About 3-cyclohexyloxy-N-(2H-triazol-4-ylmethyl)benzamide

3-cyclohexyloxy-N-(2H-triazol-4-ylmethyl)benzamide (PubChem CID 75494574) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-(2H-triazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-cyclohexyloxy-N-(2H-triazol-4-ylmethyl)benzamide
PubChem CID75494574
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-cyclohexyloxy-N-(2H-triazol-4-ylmethyl)benzamide
SMILESO=C(NCc1cn[nH]n1)c1cccc(OC2CCCCC2)c1
InChIInChI=1S/C16H20N4O2/c21-16(17-10-13-11-18-20-19-13)12-5-4-8-15(9-12)22-14-6-2-1-3-7-14/h4-5,8-9,11,14H,1-3,6-7,10H2,(H,17,21)(H,18,19,20)
InChIKeyAHFDUQKLVDUOSF-UHFFFAOYSA-N
XLogP2.45
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 45172439
N-(3-amino-2-methylpropyl)-3-cyclopentyloxybenzamide
CID 119995738
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3-(1-pyrazin-2-ylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
CID 72889997
3-cyclopentyloxybenzamide
CID 71932153
3-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890417
cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228
4-(5-amino-4-cyanopyrazol-1-yl)-N-[(3-cyclohexyloxyphenyl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-(2H-triazol-4-ylmethyl)benzamide?
The IUPAC name of 3-cyclohexyloxy-N-(2H-triazol-4-ylmethyl)benzamide (CID 75494574) is 3-cyclohexyloxy-N-(2H-triazol-4-ylmethyl)benzamide.
What is the SMILES notation for 3-cyclohexyloxy-N-(2H-triazol-4-ylmethyl)benzamide?
The canonical SMILES for 3-cyclohexyloxy-N-(2H-triazol-4-ylmethyl)benzamide is O=C(NCc1cn[nH]n1)c1cccc(OC2CCCCC2)c1.
What is the InChIKey of 3-cyclohexyloxy-N-(2H-triazol-4-ylmethyl)benzamide?
The InChIKey is AHFDUQKLVDUOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-16(17-10-13-11-18-20-19-13)12-5-4-8-15(9-12)22-14-6-2-1-3-7-14/h4-5,8-9,11,14H,1-3,6-7,10H2,(H,17,21)(H,18,19,20).
What are the key properties of 3-cyclohexyloxy-N-(2H-triazol-4-ylmethyl)benzamide?
3-cyclohexyloxy-N-(2H-triazol-4-ylmethyl)benzamide has a molecular weight of 300.36 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-(2H-triazol-4-ylmethyl)benzamide is sourced from PubChem (CID 75494574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).