N-benzyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide

C20H22N4O2 — CID 119055260

IUPACN-benzyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
SMILESO=C(CCCn1cc(COc2ccccc2)nn1)NCc1ccccc1
InChIInChI=1S/C20H22N4O2/c25-20(21-14-17-8-3-1-4-9-17)12-7-13-24-15-18(22-23-24)16-26-19-10-5-2-6-11-19/h1-6,8-11,15H,7,12-14,16H2,(H,21,25)
InChIKeySEVSNBABXCNBGW-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.95
Rot. Bonds9

About N-benzyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide

N-benzyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide (PubChem CID 119055260) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-benzyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide.

Molecular Properties

Compound NameN-benzyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
PubChem CID119055260
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-benzyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
SMILESO=C(CCCn1cc(COc2ccccc2)nn1)NCc1ccccc1
InChIInChI=1S/C20H22N4O2/c25-20(21-14-17-8-3-1-4-9-17)12-7-13-24-15-18(22-23-24)16-26-19-10-5-2-6-11-19/h1-6,8-11,15H,7,12-14,16H2,(H,21,25)
InChIKeySEVSNBABXCNBGW-UHFFFAOYSA-N
XLogP2.95
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(phenoxymethyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 119055250
N-(furan-2-ylmethyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
CID 119055236
N-butyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
CID 119055237
N-(4-methylphenyl)-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
CID 119055234
4-[4-(phenoxymethyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)butanamide
CID 119055253
N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830188
N-[(1-benzyltriazol-4-yl)methyl]-2-phenoxyacetamide
CID 102109795
2-amino-N-[[1-(3-phenylpropyl)triazol-4-yl]methyl]acetamide
CID 114778162
2-[4-[(3-methylphenoxy)methyl]triazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 100830161
N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830961
1-(2-isocyanoethyl)-4-(phenoxymethyl)triazole
CID 45378743
4-(methylsulfonylmethyl)-1-(4-phenoxybutyl)triazole
CID 94945269

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide?
The IUPAC name of N-benzyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide (CID 119055260) is N-benzyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide.
What is the SMILES notation for N-benzyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide?
The canonical SMILES for N-benzyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide is O=C(CCCn1cc(COc2ccccc2)nn1)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide?
The InChIKey is SEVSNBABXCNBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-20(21-14-17-8-3-1-4-9-17)12-7-13-24-15-18(22-23-24)16-26-19-10-5-2-6-11-19/h1-6,8-11,15H,7,12-14,16H2,(H,21,25).
What are the key properties of N-benzyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide?
N-benzyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide has a molecular weight of 350.42 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide is sourced from PubChem (CID 119055260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).