2-(diethylamino)-N-[[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]methyl]acetamide

C18H27N5O4 — CID 51050739

IUPAC2-(diethylamino)-N-[[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]methyl]acetamide
SMILESCCN(CC)CC(=O)NCc1cn(-c2cc(OC)c(OC)c(OC)c2)nn1
InChIInChI=1S/C18H27N5O4/c1-6-22(7-2)12-17(24)19-10-13-11-23(21-20-13)14-8-15(25-3)18(27-5)16(9-14)26-4/h8-9,11H,6-7,10,12H2,1-5H3,(H,19,24)
InChIKeyGWXCJQPLSVYKJD-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.25
Rot. Bonds10

About 2-(diethylamino)-N-[[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]methyl]acetamide

2-(diethylamino)-N-[[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]methyl]acetamide (PubChem CID 51050739) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-(diethylamino)-N-[[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]methyl]acetamide
PubChem CID51050739
Molecular FormulaC18H27N5O4
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC Name2-(diethylamino)-N-[[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]methyl]acetamide
SMILESCCN(CC)CC(=O)NCc1cn(-c2cc(OC)c(OC)c(OC)c2)nn1
InChIInChI=1S/C18H27N5O4/c1-6-22(7-2)12-17(24)19-10-13-11-23(21-20-13)14-8-15(25-3)18(27-5)16(9-14)26-4/h8-9,11H,6-7,10,12H2,1-5H3,(H,19,24)
InChIKeyGWXCJQPLSVYKJD-UHFFFAOYSA-N
XLogP1.25
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]methyl]acetamide (CID 51050739) is 2-(diethylamino)-N-[[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]methyl]acetamide is CCN(CC)CC(=O)NCc1cn(-c2cc(OC)c(OC)c(OC)c2)nn1.
What is the InChIKey of 2-(diethylamino)-N-[[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]methyl]acetamide?
The InChIKey is GWXCJQPLSVYKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4/c1-6-22(7-2)12-17(24)19-10-13-11-23(21-20-13)14-8-15(25-3)18(27-5)16(9-14)26-4/h8-9,11H,6-7,10,12H2,1-5H3,(H,19,24).
What are the key properties of 2-(diethylamino)-N-[[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]methyl]acetamide?
2-(diethylamino)-N-[[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]methyl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 1.25, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[[1-(3,4,5-trimethoxyphenyl)triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 51050739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).