N-ethyl-3-(1-methyltriazol-4-yl)-4-phenylmethoxybenzamide

C19H20N4O2 — CID 164614619

IUPACN-ethyl-3-(1-methyltriazol-4-yl)-4-phenylmethoxybenzamide
SMILESCCNC(=O)c1ccc(OCc2ccccc2)c(-c2cn(C)nn2)c1
InChIInChI=1S/C19H20N4O2/c1-3-20-19(24)15-9-10-18(25-13-14-7-5-4-6-8-14)16(11-15)17-12-23(2)22-21-17/h4-12H,3,13H2,1-2H3,(H,20,24)
InChIKeyZSLOJSORYHKEJP-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.81
Rot. Bonds6

About N-ethyl-3-(1-methyltriazol-4-yl)-4-phenylmethoxybenzamide

N-ethyl-3-(1-methyltriazol-4-yl)-4-phenylmethoxybenzamide (PubChem CID 164614619) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-ethyl-3-(1-methyltriazol-4-yl)-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-ethyl-3-(1-methyltriazol-4-yl)-4-phenylmethoxybenzamide
PubChem CID164614619
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-ethyl-3-(1-methyltriazol-4-yl)-4-phenylmethoxybenzamide
SMILESCCNC(=O)c1ccc(OCc2ccccc2)c(-c2cn(C)nn2)c1
InChIInChI=1S/C19H20N4O2/c1-3-20-19(24)15-9-10-18(25-13-14-7-5-4-6-8-14)16(11-15)17-12-23(2)22-21-17/h4-12H,3,13H2,1-2H3,(H,20,24)
InChIKeyZSLOJSORYHKEJP-UHFFFAOYSA-N
XLogP2.81
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
1-Benzyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884917
5-(1-Methyl-1H-pyrazol-5-yl)-2-[(phenyl methyl)oxy]-N-3-pyridinylbenzamide
CID 67107000
N1,N1-Dimethyl-4-[(phenylmethyl)oxy]-N3-3-pyridinyl-1,3-benzenedicarboxamide
CID 69936757
3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxybenzamide
CID 71616055
Brd4-IN-8
CID 71616418
(3S)-7-N-methyl-5-N-(1-methylpyrazol-4-yl)-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 155119729
4-{[1-(2-phenylethyl)piperidin-4-yl]oxy}-N-[2-(1H-pyrazol-1-yl)ethyl]benzamide
CID 16191083
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-methyltriazol-4-yl)-4-phenylmethoxybenzamide?
The IUPAC name of N-ethyl-3-(1-methyltriazol-4-yl)-4-phenylmethoxybenzamide (CID 164614619) is N-ethyl-3-(1-methyltriazol-4-yl)-4-phenylmethoxybenzamide.
What is the SMILES notation for N-ethyl-3-(1-methyltriazol-4-yl)-4-phenylmethoxybenzamide?
The canonical SMILES for N-ethyl-3-(1-methyltriazol-4-yl)-4-phenylmethoxybenzamide is CCNC(=O)c1ccc(OCc2ccccc2)c(-c2cn(C)nn2)c1.
What is the InChIKey of N-ethyl-3-(1-methyltriazol-4-yl)-4-phenylmethoxybenzamide?
The InChIKey is ZSLOJSORYHKEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-20-19(24)15-9-10-18(25-13-14-7-5-4-6-8-14)16(11-15)17-12-23(2)22-21-17/h4-12H,3,13H2,1-2H3,(H,20,24).
What are the key properties of N-ethyl-3-(1-methyltriazol-4-yl)-4-phenylmethoxybenzamide?
N-ethyl-3-(1-methyltriazol-4-yl)-4-phenylmethoxybenzamide has a molecular weight of 336.40 g/mol, XLogP of 2.81, 6 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-phenylmethoxybenzamide is sourced from PubChem (CID 164614619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).