N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide

C19H20N4O3 — CID 100830188

IUPACN-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
SMILESCOc1ccccc1OCc1cn(CC(=O)NCc2ccccc2)nn1
InChIInChI=1S/C19H20N4O3/c1-25-17-9-5-6-10-18(17)26-14-16-12-23(22-21-16)13-19(24)20-11-15-7-3-2-4-8-15/h2-10,12H,11,13-14H2,1H3,(H,20,24)
InChIKeyDTIDEDAQTWWOOM-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.18
Rot. Bonds8

About N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide

N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide (PubChem CID 100830188) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
PubChem CID100830188
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
SMILESCOc1ccccc1OCc1cn(CC(=O)NCc2ccccc2)nn1
InChIInChI=1S/C19H20N4O3/c1-25-17-9-5-6-10-18(17)26-14-16-12-23(22-21-16)13-19(24)20-11-15-7-3-2-4-8-15/h2-10,12H,11,13-14H2,1H3,(H,20,24)
InChIKeyDTIDEDAQTWWOOM-UHFFFAOYSA-N
XLogP2.18
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetyl]amino]acetamide
CID 100830162
N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830961
N-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830183
2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 100830161
N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide
CID 122193651
N-benzyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
CID 119055260
N-butyl-2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetamide
CID 100830994
2-(4-acetamidotriazol-1-yl)-N-benzylacetamide
CID 112520101
2-[4-(2-aminoethyl)triazol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 116642158
2-[4-(1-aminoethyl)triazol-1-yl]-N-benzylacetamide
CID 114419675
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-benzylacetamide;ethane
CID 143882920
3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide
CID 100830471

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide (CID 100830188) is N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide is COc1ccccc1OCc1cn(CC(=O)NCc2ccccc2)nn1.
What is the InChIKey of N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide?
The InChIKey is DTIDEDAQTWWOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-25-17-9-5-6-10-18(17)26-14-16-12-23(22-21-16)13-19(24)20-11-15-7-3-2-4-8-15/h2-10,12H,11,13-14H2,1H3,(H,20,24).
What are the key properties of N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide?
N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide has a molecular weight of 352.39 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide is sourced from PubChem (CID 100830188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).