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

C20H22N4O3 — CID 164619562

IUPACN-ethyl-4-[(3-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide
SMILESCCNC(=O)c1ccc(OCc2cccc(OC)c2)c(-c2cn(C)nn2)c1
InChIInChI=1S/C20H22N4O3/c1-4-21-20(25)15-8-9-19(17(11-15)18-12-24(2)23-22-18)27-13-14-6-5-7-16(10-14)26-3/h5-12H,4,13H2,1-3H3,(H,21,25)
InChIKeyIOZIXDWIXFYKMV-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.82
Rot. Bonds7

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

N-ethyl-4-[(3-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide (PubChem CID 164619562) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-ethyl-4-[(3-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-[(3-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide
PubChem CID164619562
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-ethyl-4-[(3-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide
SMILESCCNC(=O)c1ccc(OCc2cccc(OC)c2)c(-c2cn(C)nn2)c1
InChIInChI=1S/C20H22N4O3/c1-4-21-20(25)15-8-9-19(17(11-15)18-12-24(2)23-22-18)27-13-14-6-5-7-16(10-14)26-3/h5-12H,4,13H2,1-3H3,(H,21,25)
InChIKeyIOZIXDWIXFYKMV-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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Related Compounds

N-ethyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-phenylethoxy]benzamide
CID 155818569
N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide
CID 155818570
4-[3-(1-butyltriazol-4-yl)propoxy]-N-[4-[2,3-dihydro-1H-inden-2-yl(propyl)amino]butyl]-3-methoxybenzamide
CID 46917563
N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]benzamide
CID 44218488
5-(1-Methyl-1H-pyrazol-5-yl)-2-[(phenyl methyl)oxy]-N-3-pyridinylbenzamide
CID 67107000
(3S)-7-N-methyl-5-N-(1-methylpyrazol-4-yl)-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 155119729
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-[1-[(3-methoxyphenyl)methyl]triazol-4-yl]benzamide
CID 90643628
4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methoxy]-N,N-dimethylbenzamide;hydrochloride
CID 155555837
3-(1-methyltriazol-4-yl)-N-(oxan-4-ylmethyl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
CID 164609744
N-ethyl-2-[(3-methoxyphenyl)methyl]-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide
CID 164609805
N-ethyl-3-(1-methyltriazol-4-yl)-4-(pyridin-3-ylmethoxy)benzamide
CID 164612481
3-(1-methyltriazol-4-yl)-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
CID 164612488

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(3-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide?
The IUPAC name of N-ethyl-4-[(3-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide (CID 164619562) is N-ethyl-4-[(3-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide.
What is the SMILES notation for N-ethyl-4-[(3-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide?
The canonical SMILES for N-ethyl-4-[(3-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide is CCNC(=O)c1ccc(OCc2cccc(OC)c2)c(-c2cn(C)nn2)c1.
What is the InChIKey of N-ethyl-4-[(3-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide?
The InChIKey is IOZIXDWIXFYKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-4-21-20(25)15-8-9-19(17(11-15)18-12-24(2)23-22-18)27-13-14-6-5-7-16(10-14)26-3/h5-12H,4,13H2,1-3H3,(H,21,25).
What are the key properties of N-ethyl-4-[(3-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide?
N-ethyl-4-[(3-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-[(3-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide is sourced from PubChem (CID 164619562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).