N-ethyl-3-(1-methyltriazol-4-yl)-4-(2-phenylethoxy)benzamide

C20H22N4O2 — CID 164623521

IUPACN-ethyl-3-(1-methyltriazol-4-yl)-4-(2-phenylethoxy)benzamide
SMILESCCNC(=O)c1ccc(OCCc2ccccc2)c(-c2cn(C)nn2)c1
InChIInChI=1S/C20H22N4O2/c1-3-21-20(25)16-9-10-19(17(13-16)18-14-24(2)23-22-18)26-12-11-15-7-5-4-6-8-15/h4-10,13-14H,3,11-12H2,1-2H3,(H,21,25)
InChIKeyIKXMOELOCWDQQJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.85
Rot. Bonds7

About N-ethyl-3-(1-methyltriazol-4-yl)-4-(2-phenylethoxy)benzamide

N-ethyl-3-(1-methyltriazol-4-yl)-4-(2-phenylethoxy)benzamide (PubChem CID 164623521) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-ethyl-3-(1-methyltriazol-4-yl)-4-(2-phenylethoxy)benzamide.

Molecular Properties

Compound NameN-ethyl-3-(1-methyltriazol-4-yl)-4-(2-phenylethoxy)benzamide
PubChem CID164623521
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-ethyl-3-(1-methyltriazol-4-yl)-4-(2-phenylethoxy)benzamide
SMILESCCNC(=O)c1ccc(OCCc2ccccc2)c(-c2cn(C)nn2)c1
InChIInChI=1S/C20H22N4O2/c1-3-21-20(25)16-9-10-19(17(13-16)18-14-24(2)23-22-18)26-12-11-15-7-5-4-6-8-15/h4-10,13-14H,3,11-12H2,1-2H3,(H,21,25)
InChIKeyIKXMOELOCWDQQJ-UHFFFAOYSA-N
XLogP2.85
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-methyltriazol-4-yl)-4-(2-phenylethoxy)benzamide?
The IUPAC name of N-ethyl-3-(1-methyltriazol-4-yl)-4-(2-phenylethoxy)benzamide (CID 164623521) is N-ethyl-3-(1-methyltriazol-4-yl)-4-(2-phenylethoxy)benzamide.
What is the SMILES notation for N-ethyl-3-(1-methyltriazol-4-yl)-4-(2-phenylethoxy)benzamide?
The canonical SMILES for N-ethyl-3-(1-methyltriazol-4-yl)-4-(2-phenylethoxy)benzamide is CCNC(=O)c1ccc(OCCc2ccccc2)c(-c2cn(C)nn2)c1.
What is the InChIKey of N-ethyl-3-(1-methyltriazol-4-yl)-4-(2-phenylethoxy)benzamide?
The InChIKey is IKXMOELOCWDQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-21-20(25)16-9-10-19(17(13-16)18-14-24(2)23-22-18)26-12-11-15-7-5-4-6-8-15/h4-10,13-14H,3,11-12H2,1-2H3,(H,21,25).
What are the key properties of N-ethyl-3-(1-methyltriazol-4-yl)-4-(2-phenylethoxy)benzamide?
N-ethyl-3-(1-methyltriazol-4-yl)-4-(2-phenylethoxy)benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-methyltriazol-4-yl)-4-(2-phenylethoxy)benzamide is sourced from PubChem (CID 164623521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).