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

C20H22N4O2 — CID 24615731

IUPACN-[(4-ethoxyphenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCCOc1ccc(CN(C)C(=O)c2ccc(Cn3cncn3)cc2)cc1
InChIInChI=1S/C20H22N4O2/c1-3-26-19-10-6-16(7-11-19)12-23(2)20(25)18-8-4-17(5-9-18)13-24-15-21-14-22-24/h4-11,14-15H,3,12-13H2,1-2H3
InChIKeyUTGNUDHFBFEASX-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.00
Rot. Bonds7

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

N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 24615731) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID24615731
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCCOc1ccc(CN(C)C(=O)c2ccc(Cn3cncn3)cc2)cc1
InChIInChI=1S/C20H22N4O2/c1-3-26-19-10-6-16(7-11-19)12-23(2)20(25)18-8-4-17(5-9-18)13-24-15-21-14-22-24/h4-11,14-15H,3,12-13H2,1-2H3
InChIKeyUTGNUDHFBFEASX-UHFFFAOYSA-N
XLogP3.00
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 24615731) is N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide is CCOc1ccc(CN(C)C(=O)c2ccc(Cn3cncn3)cc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is UTGNUDHFBFEASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-26-19-10-6-16(7-11-19)12-23(2)20(25)18-8-4-17(5-9-18)13-24-15-21-14-22-24/h4-11,14-15H,3,12-13H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 24615731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).