N-ethyl-3-(1-methyltriazol-4-yl)-4-(oxan-4-ylmethoxy)benzamide

C18H24N4O3 — CID 164610163

IUPACN-ethyl-3-(1-methyltriazol-4-yl)-4-(oxan-4-ylmethoxy)benzamide
SMILESCCNC(=O)c1ccc(OCC2CCOCC2)c(-c2cn(C)nn2)c1
InChIInChI=1S/C18H24N4O3/c1-3-19-18(23)14-4-5-17(25-12-13-6-8-24-9-7-13)15(10-14)16-11-22(2)21-20-16/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,19,23)
InChIKeyCESWCVIUMAWTOL-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.04
Rot. Bonds6

About N-ethyl-3-(1-methyltriazol-4-yl)-4-(oxan-4-ylmethoxy)benzamide

N-ethyl-3-(1-methyltriazol-4-yl)-4-(oxan-4-ylmethoxy)benzamide (PubChem CID 164610163) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-ethyl-3-(1-methyltriazol-4-yl)-4-(oxan-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-ethyl-3-(1-methyltriazol-4-yl)-4-(oxan-4-ylmethoxy)benzamide
PubChem CID164610163
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-ethyl-3-(1-methyltriazol-4-yl)-4-(oxan-4-ylmethoxy)benzamide
SMILESCCNC(=O)c1ccc(OCC2CCOCC2)c(-c2cn(C)nn2)c1
InChIInChI=1S/C18H24N4O3/c1-3-19-18(23)14-4-5-17(25-12-13-6-8-24-9-7-13)15(10-14)16-11-22(2)21-20-16/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,19,23)
InChIKeyCESWCVIUMAWTOL-UHFFFAOYSA-N
XLogP2.04
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-methyltriazol-4-yl)-4-(oxan-4-ylmethoxy)benzamide?
The IUPAC name of N-ethyl-3-(1-methyltriazol-4-yl)-4-(oxan-4-ylmethoxy)benzamide (CID 164610163) is N-ethyl-3-(1-methyltriazol-4-yl)-4-(oxan-4-ylmethoxy)benzamide.
What is the SMILES notation for N-ethyl-3-(1-methyltriazol-4-yl)-4-(oxan-4-ylmethoxy)benzamide?
The canonical SMILES for N-ethyl-3-(1-methyltriazol-4-yl)-4-(oxan-4-ylmethoxy)benzamide is CCNC(=O)c1ccc(OCC2CCOCC2)c(-c2cn(C)nn2)c1.
What is the InChIKey of N-ethyl-3-(1-methyltriazol-4-yl)-4-(oxan-4-ylmethoxy)benzamide?
The InChIKey is CESWCVIUMAWTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-3-19-18(23)14-4-5-17(25-12-13-6-8-24-9-7-13)15(10-14)16-11-22(2)21-20-16/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,19,23).
What are the key properties of N-ethyl-3-(1-methyltriazol-4-yl)-4-(oxan-4-ylmethoxy)benzamide?
N-ethyl-3-(1-methyltriazol-4-yl)-4-(oxan-4-ylmethoxy)benzamide has a molecular weight of 344.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-methyltriazol-4-yl)-4-(oxan-4-ylmethoxy)benzamide is sourced from PubChem (CID 164610163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).