3-(2-aminoethoxy)-4-methyl-N-[2-(2H-triazol-4-yl)ethyl]benzamide

C14H19N5O2 — CID 118794228

IUPAC3-(2-aminoethoxy)-4-methyl-N-[2-(2H-triazol-4-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2cn[nH]n2)cc1OCCN
InChIInChI=1S/C14H19N5O2/c1-10-2-3-11(8-13(10)21-7-5-15)14(20)16-6-4-12-9-17-19-18-12/h2-3,8-9H,4-7,15H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyOLWPCVXGUVVUPS-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.42
Rot. Bonds7

About 3-(2-aminoethoxy)-4-methyl-N-[2-(2H-triazol-4-yl)ethyl]benzamide

3-(2-aminoethoxy)-4-methyl-N-[2-(2H-triazol-4-yl)ethyl]benzamide (PubChem CID 118794228) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-4-methyl-N-[2-(2H-triazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-4-methyl-N-[2-(2H-triazol-4-yl)ethyl]benzamide
PubChem CID118794228
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-(2-aminoethoxy)-4-methyl-N-[2-(2H-triazol-4-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2cn[nH]n2)cc1OCCN
InChIInChI=1S/C14H19N5O2/c1-10-2-3-11(8-13(10)21-7-5-15)14(20)16-6-4-12-9-17-19-18-12/h2-3,8-9H,4-7,15H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyOLWPCVXGUVVUPS-UHFFFAOYSA-N
XLogP0.42
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide
CID 118791993
3-(2-aminoethoxy)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-4-methylbenzamide
CID 118774604
3-(2-aminoethoxy)-N-[(1R)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-4-methylbenzamide
CID 126437818
3,5-dinitro-N-[2-(2H-triazol-4-yl)ethyl]benzamide
CID 88839893
acetic acid;4-(2-aminoethoxy)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-methoxybenzamide
CID 154905019
N-(4-aminobutyl)-3-methoxy-4-methylbenzamide
CID 60893959
3-(2-aminoethoxy)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-4-methylbenzamide
CID 118777041
4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide
CID 122431858
acetic acid;3-(3-aminopropoxy)-N-[2-(dimethylsulfamoyl)ethyl]-4-methylbenzamide
CID 154903818
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2H-triazole-4-carboxamide
CID 166293497
3-(2-aminoethoxy)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]benzamide
CID 136998459

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-4-methyl-N-[2-(2H-triazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-(2-aminoethoxy)-4-methyl-N-[2-(2H-triazol-4-yl)ethyl]benzamide (CID 118794228) is 3-(2-aminoethoxy)-4-methyl-N-[2-(2H-triazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-(2-aminoethoxy)-4-methyl-N-[2-(2H-triazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-(2-aminoethoxy)-4-methyl-N-[2-(2H-triazol-4-yl)ethyl]benzamide is Cc1ccc(C(=O)NCCc2cn[nH]n2)cc1OCCN.
What is the InChIKey of 3-(2-aminoethoxy)-4-methyl-N-[2-(2H-triazol-4-yl)ethyl]benzamide?
The InChIKey is OLWPCVXGUVVUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-2-3-11(8-13(10)21-7-5-15)14(20)16-6-4-12-9-17-19-18-12/h2-3,8-9H,4-7,15H2,1H3,(H,16,20)(H,17,18,19).
What are the key properties of 3-(2-aminoethoxy)-4-methyl-N-[2-(2H-triazol-4-yl)ethyl]benzamide?
3-(2-aminoethoxy)-4-methyl-N-[2-(2H-triazol-4-yl)ethyl]benzamide has a molecular weight of 289.34 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-4-methyl-N-[2-(2H-triazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 118794228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).