2-[[2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetyl]amino]acetamide

C14H17N5O4 — CID 100830162

IUPAC2-[[2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetyl]amino]acetamide
SMILESCOc1ccccc1OCc1cn(CC(=O)NCC(N)=O)nn1
InChIInChI=1S/C14H17N5O4/c1-22-11-4-2-3-5-12(11)23-9-10-7-19(18-17-10)8-14(21)16-6-13(15)20/h2-5,7H,6,8-9H2,1H3,(H2,15,20)(H,16,21)
InChIKeyQSONYOXYEWMLNS-UHFFFAOYSA-N
MW319.32 g/mol
LogP-0.53
Rot. Bonds8

About 2-[[2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetyl]amino]acetamide

2-[[2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetyl]amino]acetamide (PubChem CID 100830162) has the molecular formula C14H17N5O4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-[[2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetyl]amino]acetamide
PubChem CID100830162
Molecular FormulaC14H17N5O4
Molecular Weight319.32 g/mol
Exact Mass319.13
IUPAC Name2-[[2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetyl]amino]acetamide
SMILESCOc1ccccc1OCc1cn(CC(=O)NCC(N)=O)nn1
InChIInChI=1S/C14H17N5O4/c1-22-11-4-2-3-5-12(11)23-9-10-7-19(18-17-10)8-14(21)16-6-13(15)20/h2-5,7H,6,8-9H2,1H3,(H2,15,20)(H,16,21)
InChIKeyQSONYOXYEWMLNS-UHFFFAOYSA-N
XLogP-0.53
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830188
N-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830183
2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(2-methylpropyl)acetamide
CID 100830965
N-butyl-2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetamide
CID 100830994
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 116642054
3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide
CID 100830471
2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-prop-2-enylacetamide
CID 100830958
N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830961
2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 100830989
N-butan-2-yl-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 110210992
2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 112522674
3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 100830310

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetyl]amino]acetamide?
The IUPAC name of 2-[[2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetyl]amino]acetamide (CID 100830162) is 2-[[2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetyl]amino]acetamide.
What is the SMILES notation for 2-[[2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetyl]amino]acetamide?
The canonical SMILES for 2-[[2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetyl]amino]acetamide is COc1ccccc1OCc1cn(CC(=O)NCC(N)=O)nn1.
What is the InChIKey of 2-[[2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetyl]amino]acetamide?
The InChIKey is QSONYOXYEWMLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4/c1-22-11-4-2-3-5-12(11)23-9-10-7-19(18-17-10)8-14(21)16-6-13(15)20/h2-5,7H,6,8-9H2,1H3,(H2,15,20)(H,16,21).
What are the key properties of 2-[[2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetyl]amino]acetamide?
2-[[2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetyl]amino]acetamide has a molecular weight of 319.32 g/mol, XLogP of -0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetyl]amino]acetamide is sourced from PubChem (CID 100830162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).