N-cyclohexyl-1-(2-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide

C24H28N4O — CID 42693173

IUPACN-cyclohexyl-1-(2-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1nc(C(=O)NC2CCCCC2)nc1CCc1ccccc1
InChIInChI=1S/C24H28N4O/c1-18-10-8-9-15-21(18)28-22(17-16-19-11-4-2-5-12-19)26-23(27-28)24(29)25-20-13-6-3-7-14-20/h2,4-5,8-12,15,20H,3,6-7,13-14,16-17H2,1H3,(H,25,29)
InChIKeyMTDFYMKFTPBHHC-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.42
Rot. Bonds6

About N-cyclohexyl-1-(2-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide

N-cyclohexyl-1-(2-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide (PubChem CID 42693173) has the molecular formula C24H28N4O and a molecular weight of 388.51 g/mol. Its IUPAC name is N-cyclohexyl-1-(2-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(2-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
PubChem CID42693173
Molecular FormulaC24H28N4O
Molecular Weight388.51 g/mol
Exact Mass388.23
IUPAC NameN-cyclohexyl-1-(2-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
SMILESCc1ccccc1-n1nc(C(=O)NC2CCCCC2)nc1CCc1ccccc1
InChIInChI=1S/C24H28N4O/c1-18-10-8-9-15-21(18)28-22(17-16-19-11-4-2-5-12-19)26-23(27-28)24(29)25-20-13-6-3-7-14-20/h2,4-5,8-12,15,20H,3,6-7,13-14,16-17H2,1H3,(H,25,29)
InChIKeyMTDFYMKFTPBHHC-UHFFFAOYSA-N
XLogP4.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-1-(2-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42693185
1-(2-methylphenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid
CID 43652629
5-benzyl-N-(1-methylpiperidin-4-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42692844
1-(2-chlorophenyl)-5-ethyl-N-(oxan-4-yl)-1,2,4-triazole-3-carboxamide
CID 71934956
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenyl-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide
CID 42693104
N-cyclohexyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109322833
N-cycloheptyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109332449
2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide
CID 109322795
N-cyclohexyl-1-phenyl-1,2,4-triazole-3-carboxamide
CID 42880791
N-cyclohexyl-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2986131
N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9268507
4-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229458

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(2-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide (CID 42693173) is N-cyclohexyl-1-(2-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(2-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(2-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide is Cc1ccccc1-n1nc(C(=O)NC2CCCCC2)nc1CCc1ccccc1.
What is the InChIKey of N-cyclohexyl-1-(2-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide?
The InChIKey is MTDFYMKFTPBHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18-10-8-9-15-21(18)28-22(17-16-19-11-4-2-5-12-19)26-23(27-28)24(29)25-20-13-6-3-7-14-20/h2,4-5,8-12,15,20H,3,6-7,13-14,16-17H2,1H3,(H,25,29).
What are the key properties of N-cyclohexyl-1-(2-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide?
N-cyclohexyl-1-(2-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide has a molecular weight of 388.51 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 42693173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).