N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide

C15H19N3O3 — CID 166217948

IUPACN-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
SMILESCc1nn(C)c(C)c1OCC(=O)NOCc1ccccc1
InChIInChI=1S/C15H19N3O3/c1-11-15(12(2)18(3)16-11)20-10-14(19)17-21-9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3,(H,17,19)
InChIKeyHLTAGUSMMYIBPN-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.66
Rot. Bonds6

About N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide

N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide (PubChem CID 166217948) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
PubChem CID166217948
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
SMILESCc1nn(C)c(C)c1OCC(=O)NOCc1ccccc1
InChIInChI=1S/C15H19N3O3/c1-11-15(12(2)18(3)16-11)20-10-14(19)17-21-9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3,(H,17,19)
InChIKeyHLTAGUSMMYIBPN-UHFFFAOYSA-N
XLogP1.66
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2,6-dimethylphenoxy)-N-phenylmethoxyacetamide
CID 9227392
N-(2-aminoethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119384708
N-(3-aminobutyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119498514
(2S)-N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 99134606
N-(5-amino-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 120568365
2-ethoxy-N-phenylmethoxyacetamide
CID 60669074
2-(4-acetylphenoxy)-N-phenylmethoxyacetamide
CID 26062081
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119526824
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-phenylacetate
CID 7697898
3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-phenylmethoxyprop-2-enamide
CID 74626756
benzyl N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamate
CID 110717257
N-methylsulfonyl-2-phenylmethoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 3352336

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide?
The IUPAC name of N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide (CID 166217948) is N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide.
What is the SMILES notation for N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide?
The canonical SMILES for N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide is Cc1nn(C)c(C)c1OCC(=O)NOCc1ccccc1.
What is the InChIKey of N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide?
The InChIKey is HLTAGUSMMYIBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11-15(12(2)18(3)16-11)20-10-14(19)17-21-9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide?
N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide has a molecular weight of 289.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide is sourced from PubChem (CID 166217948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).