N-[(1-benzyltriazol-4-yl)methyl]-2-phenoxyacetamide

C18H18N4O2 — CID 102109795

IUPACN-[(1-benzyltriazol-4-yl)methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C18H18N4O2/c23-18(14-24-17-9-5-2-6-10-17)19-11-16-13-22(21-20-16)12-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2,(H,19,23)
InChIKeyVJYMYBLFWDPKKG-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.02
Rot. Bonds7

About N-[(1-benzyltriazol-4-yl)methyl]-2-phenoxyacetamide

N-[(1-benzyltriazol-4-yl)methyl]-2-phenoxyacetamide (PubChem CID 102109795) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[(1-benzyltriazol-4-yl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(1-benzyltriazol-4-yl)methyl]-2-phenoxyacetamide
PubChem CID102109795
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[(1-benzyltriazol-4-yl)methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C18H18N4O2/c23-18(14-24-17-9-5-2-6-10-17)19-11-16-13-22(21-20-16)12-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2,(H,19,23)
InChIKeyVJYMYBLFWDPKKG-UHFFFAOYSA-N
XLogP2.02
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197
N-[(1-benzyltriazol-4-yl)methyl]furan-2-carboxamide
CID 102109798
1-[(1-benzyltriazol-4-yl)methyl]-3-(2-oxopropyl)urea
CID 90805878
2-[(1-benzyltriazol-4-yl)methylamino]acetic acid
CID 102473436
2-[4-[[[2-(4-propan-2-ylphenoxy)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120697874
2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide
CID 114778162
2-[4-[[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698966
4-[[4-[[(2-aminoacetyl)amino]methyl]triazol-1-yl]methyl]benzamide
CID 114778729
N-benzyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
CID 119055260
4-[(1-benzyltriazol-4-yl)methylcarbamoylamino]-N-(4-phenoxyphenyl)benzamide
CID 66555296
2-[4-[[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698577
2-[4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698658

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyltriazol-4-yl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[(1-benzyltriazol-4-yl)methyl]-2-phenoxyacetamide (CID 102109795) is N-[(1-benzyltriazol-4-yl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(1-benzyltriazol-4-yl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(1-benzyltriazol-4-yl)methyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCc1cn(Cc2ccccc2)nn1.
What is the InChIKey of N-[(1-benzyltriazol-4-yl)methyl]-2-phenoxyacetamide?
The InChIKey is VJYMYBLFWDPKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-18(14-24-17-9-5-2-6-10-17)19-11-16-13-22(21-20-16)12-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2,(H,19,23).
What are the key properties of N-[(1-benzyltriazol-4-yl)methyl]-2-phenoxyacetamide?
N-[(1-benzyltriazol-4-yl)methyl]-2-phenoxyacetamide has a molecular weight of 322.37 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyltriazol-4-yl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 102109795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).