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

C20H22N4O3 — CID 164614687

IUPACN-ethyl-4-[(4-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide
SMILESCCNC(=O)c1ccc(OCc2ccc(OC)cc2)c(-c2cn(C)nn2)c1
InChIInChI=1S/C20H22N4O3/c1-4-21-20(25)15-7-10-19(17(11-15)18-12-24(2)23-22-18)27-13-14-5-8-16(26-3)9-6-14/h5-12H,4,13H2,1-3H3,(H,21,25)
InChIKeyFHMNHTWKYVWIBK-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.82
Rot. Bonds7

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

N-ethyl-4-[(4-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide (PubChem CID 164614687) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-ethyl-4-[(4-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-[(4-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide
PubChem CID164614687
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-ethyl-4-[(4-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide
SMILESCCNC(=O)c1ccc(OCc2ccc(OC)cc2)c(-c2cn(C)nn2)c1
InChIInChI=1S/C20H22N4O3/c1-4-21-20(25)15-7-10-19(17(11-15)18-12-24(2)23-22-18)27-13-14-5-8-16(26-3)9-6-14/h5-12H,4,13H2,1-3H3,(H,21,25)
InChIKeyFHMNHTWKYVWIBK-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
N-(2-(4-Ethoxybenzamido)ethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 46884873
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
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-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
BET-BD2 Inhibitor GSK452
CID 164613009
N-methyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-pyridin-2-ylethoxy]benzamide
CID 164614079
4-(benzyloxy)-N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)benzamide
CID 164614619

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(4-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide?
The IUPAC name of N-ethyl-4-[(4-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide (CID 164614687) is N-ethyl-4-[(4-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide.
What is the SMILES notation for N-ethyl-4-[(4-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide?
The canonical SMILES for N-ethyl-4-[(4-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide is CCNC(=O)c1ccc(OCc2ccc(OC)cc2)c(-c2cn(C)nn2)c1.
What is the InChIKey of N-ethyl-4-[(4-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide?
The InChIKey is FHMNHTWKYVWIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-4-21-20(25)15-7-10-19(17(11-15)18-12-24(2)23-22-18)27-13-14-5-8-16(26-3)9-6-14/h5-12H,4,13H2,1-3H3,(H,21,25).
What are the key properties of N-ethyl-4-[(4-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide?
N-ethyl-4-[(4-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-[(4-methoxyphenyl)methoxy]-3-(1-methyltriazol-4-yl)benzamide is sourced from PubChem (CID 164614687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).