N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide

C17H17N3O6 — CID 46521650

IUPACN-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESO=C(CNC(=O)COc1ccccc1)NCc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C17H17N3O6/c21-15-7-6-13(20(24)25)8-12(15)9-18-16(22)10-19-17(23)11-26-14-4-2-1-3-5-14/h1-8,21H,9-11H2,(H,18,22)(H,19,23)
InChIKeyPCOQRIKPXFXSDM-UHFFFAOYSA-N
MW359.34 g/mol
LogP1.11
Rot. Bonds8

About N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide

N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide (PubChem CID 46521650) has the molecular formula C17H17N3O6 and a molecular weight of 359.34 g/mol. Its IUPAC name is N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide
PubChem CID46521650
Molecular FormulaC17H17N3O6
Molecular Weight359.34 g/mol
Exact Mass359.11
IUPAC NameN-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESO=C(CNC(=O)COc1ccccc1)NCc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C17H17N3O6/c21-15-7-6-13(20(24)25)8-12(15)9-18-16(22)10-19-17(23)11-26-14-4-2-1-3-5-14/h1-8,21H,9-11H2,(H,18,22)(H,19,23)
InChIKeyPCOQRIKPXFXSDM-UHFFFAOYSA-N
XLogP1.11
TPSA130.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[2-[(2-hydroxy-5-nitrophenyl)methylamino]-2-oxoethyl]benzamide
CID 46521637
N-[(2-hydroxy-5-nitrophenyl)methyl]-4-(phenoxymethyl)benzamide
CID 24818295
N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 7965634
N-[(2-aminophenyl)methyl]-2-(4-nitrophenoxy)acetamide
CID 52940822
N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772
N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-2-phenoxyacetamide
CID 4629121
2-(4-nitrophenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 41437994
2-[(acridin-9-ylamino)methyl]-4-nitrophenol
CID 45103228
N'-[2-(4-nitrophenoxy)acetyl]-2-phenylacetohydrazide
CID 922307
N-(2,2-diphenylethyl)-2-(4-nitrophenoxy)acetamide
CID 41161668
2-[(2-hydroxyanilino)methyl]-4-nitrophenol
CID 83321921
N-(2-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 46665237

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide (CID 46521650) is N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide is O=C(CNC(=O)COc1ccccc1)NCc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide?
The InChIKey is PCOQRIKPXFXSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6/c21-15-7-6-13(20(24)25)8-12(15)9-18-16(22)10-19-17(23)11-26-14-4-2-1-3-5-14/h1-8,21H,9-11H2,(H,18,22)(H,19,23).
What are the key properties of N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide?
N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide has a molecular weight of 359.34 g/mol, XLogP of 1.11, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 46521650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).