N-ethyl-4-[(2-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide

C20H22N4O3 — CID 164616391

IUPACN-ethyl-4-[(2-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide
SMILESCCNC(=O)c1ccc(OCc2ccccc2OC)c(-c2cn(C)nn2)c1
InChIInChI=1S/C20H22N4O3/c1-4-21-20(25)14-9-10-19(16(11-14)17-12-24(2)23-22-17)27-13-15-7-5-6-8-18(15)26-3/h5-12H,4,13H2,1-3H3,(H,21,25)
InChIKeyVMUBIXNWTOJAAC-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.82
Rot. Bonds7

About N-ethyl-4-[(2-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide

N-ethyl-4-[(2-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide (PubChem CID 164616391) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-ethyl-4-[(2-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-[(2-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide
PubChem CID164616391
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-ethyl-4-[(2-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide
SMILESCCNC(=O)c1ccc(OCc2ccccc2OC)c(-c2cn(C)nn2)c1
InChIInChI=1S/C20H22N4O3/c1-4-21-20(25)14-9-10-19(16(11-14)17-12-24(2)23-22-17)27-13-15-7-5-6-8-18(15)26-3/h5-12H,4,13H2,1-3H3,(H,21,25)
InChIKeyVMUBIXNWTOJAAC-UHFFFAOYSA-N
XLogP2.82
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide?
The IUPAC name of N-ethyl-4-[(2-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide (CID 164616391) is N-ethyl-4-[(2-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide.
What is the SMILES notation for N-ethyl-4-[(2-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide?
The canonical SMILES for N-ethyl-4-[(2-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide is CCNC(=O)c1ccc(OCc2ccccc2OC)c(-c2cn(C)nn2)c1.
What is the InChIKey of N-ethyl-4-[(2-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide?
The InChIKey is VMUBIXNWTOJAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-4-21-20(25)14-9-10-19(16(11-14)17-12-24(2)23-22-17)27-13-15-7-5-6-8-18(15)26-3/h5-12H,4,13H2,1-3H3,(H,21,25).
What are the key properties of N-ethyl-4-[(2-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide?
N-ethyl-4-[(2-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide has a molecular weight of 366.42 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide is sourced from PubChem (CID 164616391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).