2-[[2-(2-phenoxyethoxy)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide

C15H18N4O4 — CID 49495181

IUPAC2-[[2-(2-phenoxyethoxy)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide
SMILESO=C(COCCOc1ccccc1)NCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C15H18N4O4/c20-14(19-12-8-17-18-9-12)10-16-15(21)11-22-6-7-23-13-4-2-1-3-5-13/h1-5,8-9H,6-7,10-11H2,(H,16,21)(H,17,18)(H,19,20)
InChIKeyKYZBFUIUTHGSIY-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.56
Rot. Bonds9

About 2-[[2-(2-phenoxyethoxy)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide

2-[[2-(2-phenoxyethoxy)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 49495181) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[[2-(2-phenoxyethoxy)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-phenoxyethoxy)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide
PubChem CID49495181
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name2-[[2-(2-phenoxyethoxy)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide
SMILESO=C(COCCOc1ccccc1)NCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C15H18N4O4/c20-14(19-12-8-17-18-9-12)10-16-15(21)11-22-6-7-23-13-4-2-1-3-5-13/h1-5,8-9H,6-7,10-11H2,(H,16,21)(H,17,18)(H,19,20)
InChIKeyKYZBFUIUTHGSIY-UHFFFAOYSA-N
XLogP0.56
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[2-(2-phenoxyethoxy)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenylmethoxy-N-(1H-pyrazol-4-yl)acetamide
CID 43429566
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190
N-(2-hydroxyethyl)-2-(2-phenoxyethoxy)acetamide
CID 78883192
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide
CID 86843517
N-[(4-methoxyphenyl)methyl]-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetamide
CID 48502857
2-(2-methylphenyl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429565
N-(4-methylsulfanylphenyl)-2-(2-phenoxyethoxy)acetamide
CID 46485144
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 32940179
2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54823077
2-(2-phenoxyethoxy)-N'-pyrimidin-2-ylacetohydrazide
CID 87015407
N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide
CID 112997910
1H-pyrazol-4-ylcarbamic acid
CID 66846919

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-phenoxyethoxy)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-[[2-(2-phenoxyethoxy)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide (CID 49495181) is 2-[[2-(2-phenoxyethoxy)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[[2-(2-phenoxyethoxy)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-[[2-(2-phenoxyethoxy)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide is O=C(COCCOc1ccccc1)NCC(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-[[2-(2-phenoxyethoxy)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is KYZBFUIUTHGSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c20-14(19-12-8-17-18-9-12)10-16-15(21)11-22-6-7-23-13-4-2-1-3-5-13/h1-5,8-9H,6-7,10-11H2,(H,16,21)(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(2-phenoxyethoxy)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide?
2-[[2-(2-phenoxyethoxy)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 318.33 g/mol, XLogP of 0.56, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-phenoxyethoxy)acetyl]amino]-N-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 49495181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).