2-[(2-phenoxyacetyl)amino]-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide

C20H19N5O3 — CID 3895912

IUPAC2-[(2-phenoxyacetyl)amino]-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
SMILESO=C(COc1ccccc1)NCC(=O)NN=Cc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C20H19N5O3/c26-18(13-21-19(27)14-28-17-9-5-2-6-10-17)24-22-11-16-12-23-25-20(16)15-7-3-1-4-8-15/h1-12H,13-14H2,(H,21,27)(H,23,25)(H,24,26)
InChIKeySHSJZMZWGXXBEL-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.72
Rot. Bonds8

About 2-[(2-phenoxyacetyl)amino]-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide

2-[(2-phenoxyacetyl)amino]-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide (PubChem CID 3895912) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[(2-phenoxyacetyl)amino]-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(2-phenoxyacetyl)amino]-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
PubChem CID3895912
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name2-[(2-phenoxyacetyl)amino]-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
SMILESO=C(COc1ccccc1)NCC(=O)NN=Cc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C20H19N5O3/c26-18(13-21-19(27)14-28-17-9-5-2-6-10-17)24-22-11-16-12-23-25-20(16)15-7-3-1-4-8-15/h1-12H,13-14H2,(H,21,27)(H,23,25)(H,24,26)
InChIKeySHSJZMZWGXXBEL-UHFFFAOYSA-N
XLogP1.72
TPSA108.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 135425046
2-(4-chlorophenoxy)-N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide
CID 136807840
2-(4-chlorophenoxy)-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]acetamide
CID 4176450
2-naphthalen-2-yloxy-N-[(E)-(5-pyridin-3-yl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 136913658
2-chloro-N-[2-oxo-2-[2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 3376746
4-fluoro-N-[2-oxo-2-[(2E)-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 135517068
N-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide
CID 3520224
N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzamide
CID 136900537
2-(3-methylanilino)-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 135699390
N-[[5-(3,4-dichlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-(4-methylphenoxy)acetamide
CID 1027984
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
CID 135549613
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
CID 6110034

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenoxyacetyl)amino]-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide?
The IUPAC name of 2-[(2-phenoxyacetyl)amino]-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide (CID 3895912) is 2-[(2-phenoxyacetyl)amino]-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(2-phenoxyacetyl)amino]-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide?
The canonical SMILES for 2-[(2-phenoxyacetyl)amino]-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide is O=C(COc1ccccc1)NCC(=O)NN=Cc1cn[nH]c1-c1ccccc1.
What is the InChIKey of 2-[(2-phenoxyacetyl)amino]-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide?
The InChIKey is SHSJZMZWGXXBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c26-18(13-21-19(27)14-28-17-9-5-2-6-10-17)24-22-11-16-12-23-25-20(16)15-7-3-1-4-8-15/h1-12H,13-14H2,(H,21,27)(H,23,25)(H,24,26).
What are the key properties of 2-[(2-phenoxyacetyl)amino]-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide?
2-[(2-phenoxyacetyl)amino]-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide has a molecular weight of 377.40 g/mol, XLogP of 1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenoxyacetyl)amino]-N-[(5-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide is sourced from PubChem (CID 3895912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).