N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide

C24H28N4O2 — CID 154839039

IUPACN-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccccc3Cn3cncn3)CCCCC2)cc1
InChIInChI=1S/C24H28N4O2/c1-30-21-11-9-20(10-12-21)24(13-5-2-6-14-24)16-26-23(29)22-8-4-3-7-19(22)15-28-18-25-17-27-28/h3-4,7-12,17-18H,2,5-6,13-16H2,1H3,(H,26,29)
InChIKeyHVERNILVHKPWBN-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.97
Rot. Bonds7

About N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide

N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 154839039) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID154839039
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccccc3Cn3cncn3)CCCCC2)cc1
InChIInChI=1S/C24H28N4O2/c1-30-21-11-9-20(10-12-21)24(13-5-2-6-14-24)16-26-23(29)22-8-4-3-7-19(22)15-28-18-25-17-27-28/h3-4,7-12,17-18H,2,5-6,13-16H2,1H3,(H,26,29)
InChIKeyHVERNILVHKPWBN-UHFFFAOYSA-N
XLogP3.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 120890077
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 157016880
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 51092079
(2S)-2-imidazol-1-yl-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide
CID 126431688
1-amino-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119846749
N-[(1R,2R)-2-cyclohexylcyclopropyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 97080048
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 120948225
N-(2-methylpiperidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
CID 120577532
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74244555
N-[(1S,3R)-3-cyclopropylcyclohexyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 96565837
2-[methyl-[2-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]propanoic acid
CID 119359245

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide (CID 154839039) is N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide is COc1ccc(C2(CNC(=O)c3ccccc3Cn3cncn3)CCCCC2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is HVERNILVHKPWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-30-21-11-9-20(10-12-21)24(13-5-2-6-14-24)16-26-23(29)22-8-4-3-7-19(22)15-28-18-25-17-27-28/h3-4,7-12,17-18H,2,5-6,13-16H2,1H3,(H,26,29).
What are the key properties of N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 404.51 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 154839039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).