2-(4-acetamidotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide

C14H17N5O3 — CID 112522032

IUPAC2-(4-acetamidotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2cc(NC(C)=O)nn2)cc1
InChIInChI=1S/C14H17N5O3/c1-10(20)16-13-8-19(18-17-13)9-14(21)15-7-11-3-5-12(22-2)6-4-11/h3-6,8H,7,9H2,1-2H3,(H,15,21)(H,16,20)
InChIKeyDYWBTHLYFUTVCD-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.56
Rot. Bonds6

About 2-(4-acetamidotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide

2-(4-acetamidotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 112522032) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(4-acetamidotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID112522032
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name2-(4-acetamidotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)Cn2cc(NC(C)=O)nn2)cc1
InChIInChI=1S/C14H17N5O3/c1-10(20)16-13-8-19(18-17-13)9-14(21)15-7-11-3-5-12(22-2)6-4-11/h3-6,8H,7,9H2,1-2H3,(H,15,21)(H,16,20)
InChIKeyDYWBTHLYFUTVCD-UHFFFAOYSA-N
XLogP0.56
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetamidotriazol-1-yl)-N-benzylacetamide
CID 112520101
methyl N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112522309
2-(4-acetamidotriazol-1-yl)-N-[(3-chlorophenyl)methyl]acetamide
CID 112528375
2-(4-acetamidotriazol-1-yl)-N-[(2,6-difluorophenyl)methyl]acetamide
CID 112522503
N-[1-[2-[(4-methylsulfonylphenyl)methylamino]-2-oxoethyl]triazol-4-yl]propanamide
CID 112522313
N-[(4-fluorophenyl)methyl]-2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830961
2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 52942112
2-(4-acetamidotriazol-1-yl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 112529383
N-benzyl-2-[4-(3,5-dimethoxyphenyl)triazol-1-yl]acetamide
CID 122193651
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
methyl N-[1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112529072
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 8904372

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-acetamidotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 112522032) is 2-(4-acetamidotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-acetamidotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-acetamidotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)Cn2cc(NC(C)=O)nn2)cc1.
What is the InChIKey of 2-(4-acetamidotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is DYWBTHLYFUTVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-10(20)16-13-8-19(18-17-13)9-14(21)15-7-11-3-5-12(22-2)6-4-11/h3-6,8H,7,9H2,1-2H3,(H,15,21)(H,16,20).
What are the key properties of 2-(4-acetamidotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(4-acetamidotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 303.32 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 112522032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).