N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide

C16H15N3O5 — CID 7965634

IUPACN-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide
SMILESO=C(COc1ccccc1)NCC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H15N3O5/c20-15(18-12-5-4-6-13(9-12)19(22)23)10-17-16(21)11-24-14-7-2-1-3-8-14/h1-9H,10-11H2,(H,17,21)(H,18,20)
InChIKeyMYGKIZIAONBWCH-UHFFFAOYSA-N
MW329.31 g/mol
LogP1.73
Rot. Bonds7

About N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide

N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide (PubChem CID 7965634) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide
PubChem CID7965634
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide
SMILESO=C(COc1ccccc1)NCC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H15N3O5/c20-15(18-12-5-4-6-13(9-12)19(22)23)10-17-16(21)11-24-14-7-2-1-3-8-14/h1-9H,10-11H2,(H,17,21)(H,18,20)
InChIKeyMYGKIZIAONBWCH-UHFFFAOYSA-N
XLogP1.73
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3-nitrophenyl)acetamide
CID 71696136
2-(3-nitrophenoxy)-N-(3-phenoxyphenyl)acetamide
CID 51480450
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
2-(3,5-dimethylphenoxy)-N-(3-nitrophenyl)acetamide
CID 926852
1-(3-nitrophenyl)-3-(phenoxymethyl)urea
CID 108888832
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N-[(2-hydroxy-5-nitrophenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 46521650
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
N-(3-nitrophenyl)-2-(2-phenylphenoxy)acetamide
CID 7779991
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(3-nitrophenyl)acetamide
CID 918526
N-[2-[4-(3-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 55742947
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(3-nitrophenyl)acetamide
CID 30129033

Frequently Asked Questions

What is the IUPAC name of N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide (CID 7965634) is N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide is O=C(COc1ccccc1)NCC(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide?
The InChIKey is MYGKIZIAONBWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c20-15(18-12-5-4-6-13(9-12)19(22)23)10-17-16(21)11-24-14-7-2-1-3-8-14/h1-9H,10-11H2,(H,17,21)(H,18,20).
What are the key properties of N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide?
N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide has a molecular weight of 329.31 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-nitrophenyl)-2-[(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 7965634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).