N-(2-methoxycyclohexyl)-4-(triazol-1-yl)benzamide

C16H20N4O2 — CID 75434169

IUPACN-(2-methoxycyclohexyl)-4-(triazol-1-yl)benzamide
SMILESCOC1CCCCC1NC(=O)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C16H20N4O2/c1-22-15-5-3-2-4-14(15)18-16(21)12-6-8-13(9-7-12)20-11-10-17-19-20/h6-11,14-15H,2-5H2,1H3,(H,18,21)
InChIKeyUSXXYXPDNUYIQH-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.95
Rot. Bonds4

About N-(2-methoxycyclohexyl)-4-(triazol-1-yl)benzamide

N-(2-methoxycyclohexyl)-4-(triazol-1-yl)benzamide (PubChem CID 75434169) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(2-methoxycyclohexyl)-4-(triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-methoxycyclohexyl)-4-(triazol-1-yl)benzamide
PubChem CID75434169
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(2-methoxycyclohexyl)-4-(triazol-1-yl)benzamide
SMILESCOC1CCCCC1NC(=O)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C16H20N4O2/c1-22-15-5-3-2-4-14(15)18-16(21)12-6-8-13(9-7-12)20-11-10-17-19-20/h6-11,14-15H,2-5H2,1H3,(H,18,21)
InChIKeyUSXXYXPDNUYIQH-UHFFFAOYSA-N
XLogP1.95
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R,5S)-4-acetamido-5-amino-N-[(1-benzyltriazol-4-yl)methyl]-3-pentan-3-yloxycyclohexene-1-carboxamide
CID 155517104
4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
CID 73504817
1-[4-(cyclopropylcarbamoyl)phenyl]-N-(1-phenylethyl)triazole-4-carboxamide
CID 172442695
US10519118, Example 50
CID 122460582
US10519118, Example 53
CID 122460584
N-[(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(dimethylamino)benzamide
CID 11867589
N-[(3S,3aR,6S,6aR)-6-[4-[[benzyl(methyl)amino]methyl]triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(dimethylamino)benzamide
CID 40533367
4-(1h-1,2,3-Triazol-1-yl)benzamide
CID 69908999
N-(2-anilinoethyl)-3-(triazol-1-yl)benzamide
CID 84590765
N-[(1S)-1-cyano-2,2-dimethylpropyl]-4-(triazol-1-yl)benzamide
CID 97080914
N-ethyl-4-[({[3-(1H-1,2,3-triazol-1-yl)propyl]amino}carbonyl)amino]benzamide
CID 118796176
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(triazol-1-yl)benzamide
CID 132293270

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclohexyl)-4-(triazol-1-yl)benzamide?
The IUPAC name of N-(2-methoxycyclohexyl)-4-(triazol-1-yl)benzamide (CID 75434169) is N-(2-methoxycyclohexyl)-4-(triazol-1-yl)benzamide.
What is the SMILES notation for N-(2-methoxycyclohexyl)-4-(triazol-1-yl)benzamide?
The canonical SMILES for N-(2-methoxycyclohexyl)-4-(triazol-1-yl)benzamide is COC1CCCCC1NC(=O)c1ccc(-n2ccnn2)cc1.
What is the InChIKey of N-(2-methoxycyclohexyl)-4-(triazol-1-yl)benzamide?
The InChIKey is USXXYXPDNUYIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-22-15-5-3-2-4-14(15)18-16(21)12-6-8-13(9-7-12)20-11-10-17-19-20/h6-11,14-15H,2-5H2,1H3,(H,18,21).
What are the key properties of N-(2-methoxycyclohexyl)-4-(triazol-1-yl)benzamide?
N-(2-methoxycyclohexyl)-4-(triazol-1-yl)benzamide has a molecular weight of 300.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclohexyl)-4-(triazol-1-yl)benzamide is sourced from PubChem (CID 75434169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).