N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide

C15H18N4O3 — CID 47029028

IUPACN-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide
SMILESO=C(COc1ccccc1)NCCNC(=O)Cn1cccn1
InChIInChI=1S/C15H18N4O3/c20-14(11-19-10-4-7-18-19)16-8-9-17-15(21)12-22-13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2,(H,16,20)(H,17,21)
InChIKeyLHRMWYGNZXPPTP-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.19
Rot. Bonds8

About N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide

N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide (PubChem CID 47029028) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide
PubChem CID47029028
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide
SMILESO=C(COc1ccccc1)NCCNC(=O)Cn1cccn1
InChIInChI=1S/C15H18N4O3/c20-14(11-19-10-4-7-18-19)16-8-9-17-15(21)12-22-13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2,(H,16,20)(H,17,21)
InChIKeyLHRMWYGNZXPPTP-UHFFFAOYSA-N
XLogP0.19
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-nitropyrazol-1-yl)-N-[2-[(2-phenoxyacetyl)amino]ethyl]acetamide
CID 33268337
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-pyrazol-1-ylacetamide
CID 47063106
2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 47025675
2-(3-aminophenoxy)-N-(2-pyrazol-1-ylethyl)acetamide
CID 61459957
N-[3-(6-oxopyridazin-1-yl)propyl]-2-phenoxyacetamide
CID 30948474
[2-(dodecylamino)-2-oxoethyl]-dimethyl-[2-[(2-phenoxyacetyl)amino]ethyl]azanium
CID 175685519
N-(3-amino-3-sulfanylidenepropyl)-2-phenoxyacetamide
CID 62666698
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190
N-[2-(benzylamino)ethyl]-2-phenoxyacetamide
CID 12876184
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
N-(3-phenoxyphenyl)-2-pyrazol-1-ylacetamide
CID 51272460
2-[4-[(2-phenoxyacetyl)amino]pyrazol-1-yl]-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 42452396

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide (CID 47029028) is N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide is O=C(COc1ccccc1)NCCNC(=O)Cn1cccn1.
What is the InChIKey of N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide?
The InChIKey is LHRMWYGNZXPPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c20-14(11-19-10-4-7-18-19)16-8-9-17-15(21)12-22-13-5-2-1-3-6-13/h1-7,10H,8-9,11-12H2,(H,16,20)(H,17,21).
What are the key properties of N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide?
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide has a molecular weight of 302.33 g/mol, XLogP of 0.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 47029028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).