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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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).