N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide

C19H25N5O — CID 154762448

IUPACN-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
SMILESCN(C(=O)Cc1ccc(-n2cnnc2)cc1)C1CC2CCC(C1)N2C
InChIInChI=1S/C19H25N5O/c1-22-16-7-8-17(22)11-18(10-16)23(2)19(25)9-14-3-5-15(6-4-14)24-12-20-21-13-24/h3-6,12-13,16-18H,7-11H2,1-2H3
InChIKeyARBNYXMTGBXFQB-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.89
Rot. Bonds4

About N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide

N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide (PubChem CID 154762448) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
PubChem CID154762448
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide
SMILESCN(C(=O)Cc1ccc(-n2cnnc2)cc1)C1CC2CCC(C1)N2C
InChIInChI=1S/C19H25N5O/c1-22-16-7-8-17(22)11-18(10-16)23(2)19(25)9-14-3-5-15(6-4-14)24-12-20-21-13-24/h3-6,12-13,16-18H,7-11H2,1-2H3
InChIKeyARBNYXMTGBXFQB-UHFFFAOYSA-N
XLogP1.89
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide?
The IUPAC name of N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide (CID 154762448) is N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide is CN(C(=O)Cc1ccc(-n2cnnc2)cc1)C1CC2CCC(C1)N2C.
What is the InChIKey of N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide?
The InChIKey is ARBNYXMTGBXFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-22-16-7-8-17(22)11-18(10-16)23(2)19(25)9-14-3-5-15(6-4-14)24-12-20-21-13-24/h3-6,12-13,16-18H,7-11H2,1-2H3.
What are the key properties of N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide?
N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-[4-(1,2,4-triazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 154762448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).