1-[2-(dimethylamino)-2-oxoethyl]-N-[1-(4-methylphenyl)cyclobutyl]triazole-4-carboxamide

C18H23N5O2 — CID 138002402

IUPAC1-[2-(dimethylamino)-2-oxoethyl]-N-[1-(4-methylphenyl)cyclobutyl]triazole-4-carboxamide
SMILESCc1ccc(C2(NC(=O)c3cn(CC(=O)N(C)C)nn3)CCC2)cc1
InChIInChI=1S/C18H23N5O2/c1-13-5-7-14(8-6-13)18(9-4-10-18)19-17(25)15-11-23(21-20-15)12-16(24)22(2)3/h5-8,11H,4,9-10,12H2,1-3H3,(H,19,25)
InChIKeyPURFCPDZEPVNBN-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.48
Rot. Bonds5

About 1-[2-(dimethylamino)-2-oxoethyl]-N-[1-(4-methylphenyl)cyclobutyl]triazole-4-carboxamide

1-[2-(dimethylamino)-2-oxoethyl]-N-[1-(4-methylphenyl)cyclobutyl]triazole-4-carboxamide (PubChem CID 138002402) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-oxoethyl]-N-[1-(4-methylphenyl)cyclobutyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-oxoethyl]-N-[1-(4-methylphenyl)cyclobutyl]triazole-4-carboxamide
PubChem CID138002402
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-[2-(dimethylamino)-2-oxoethyl]-N-[1-(4-methylphenyl)cyclobutyl]triazole-4-carboxamide
SMILESCc1ccc(C2(NC(=O)c3cn(CC(=O)N(C)C)nn3)CCC2)cc1
InChIInChI=1S/C18H23N5O2/c1-13-5-7-14(8-6-13)18(9-4-10-18)19-17(25)15-11-23(21-20-15)12-16(24)22(2)3/h5-8,11H,4,9-10,12H2,1-3H3,(H,19,25)
InChIKeyPURFCPDZEPVNBN-UHFFFAOYSA-N
XLogP1.48
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-N-[1-(4-methylphenyl)cyclobutyl]triazole-4-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-N-[1-(4-methylphenyl)cyclobutyl]triazole-4-carboxamide (CID 138002402) is 1-[2-(dimethylamino)-2-oxoethyl]-N-[1-(4-methylphenyl)cyclobutyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)-2-oxoethyl]-N-[1-(4-methylphenyl)cyclobutyl]triazole-4-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)-2-oxoethyl]-N-[1-(4-methylphenyl)cyclobutyl]triazole-4-carboxamide is Cc1ccc(C2(NC(=O)c3cn(CC(=O)N(C)C)nn3)CCC2)cc1.
What is the InChIKey of 1-[2-(dimethylamino)-2-oxoethyl]-N-[1-(4-methylphenyl)cyclobutyl]triazole-4-carboxamide?
The InChIKey is PURFCPDZEPVNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-5-7-14(8-6-13)18(9-4-10-18)19-17(25)15-11-23(21-20-15)12-16(24)22(2)3/h5-8,11H,4,9-10,12H2,1-3H3,(H,19,25).
What are the key properties of 1-[2-(dimethylamino)-2-oxoethyl]-N-[1-(4-methylphenyl)cyclobutyl]triazole-4-carboxamide?
1-[2-(dimethylamino)-2-oxoethyl]-N-[1-(4-methylphenyl)cyclobutyl]triazole-4-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-oxoethyl]-N-[1-(4-methylphenyl)cyclobutyl]triazole-4-carboxamide is sourced from PubChem (CID 138002402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).