N-benzyl-2-(4-nitrophenoxy)acetamide

C15H14N2O4 — CID 2787239

IUPACN-benzyl-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccccc1
InChIInChI=1S/C15H14N2O4/c18-15(16-10-12-4-2-1-3-5-12)11-21-14-8-6-13(7-9-14)17(19)20/h1-9H,10-11H2,(H,16,18)
InChIKeyDQMWYNBADRINBR-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.29
Rot. Bonds6

About N-benzyl-2-(4-nitrophenoxy)acetamide

N-benzyl-2-(4-nitrophenoxy)acetamide (PubChem CID 2787239) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-benzyl-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-nitrophenoxy)acetamide
PubChem CID2787239
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC NameN-benzyl-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccccc1
InChIInChI=1S/C15H14N2O4/c18-15(16-10-12-4-2-1-3-5-12)11-21-14-8-6-13(7-9-14)17(19)20/h1-9H,10-11H2,(H,16,18)
InChIKeyDQMWYNBADRINBR-UHFFFAOYSA-N
XLogP2.29
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(4-nitrophenyl)-2-phenoxyacetamide
CID 309593
N-Methyl-2-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 14645090
4-nitrophenyl N-benzoylglycinate
CID 569973
N-((Phenylmethoxy)carbonyl)glycine 4-nitrophenyl ester
CID 15616
Mls002706796
CID 273306
2-nitro-N-(2-phenoxyethyl)benzamide
CID 2253073
2-(3-methyl-4-nitrophenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 1247565
2-(4-acetamidophenoxy)-N-(2-phenylethyl)acetamide
CID 2450951
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500325
N-cyclopropyl-2-(2-nitrophenoxy)acetamide
CID 2500572
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2568109
1-[4-[2-(Benzylamino)-2-oxoethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 2957197

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-benzyl-2-(4-nitrophenoxy)acetamide (CID 2787239) is N-benzyl-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-benzyl-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-benzyl-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-nitrophenoxy)acetamide?
The InChIKey is DQMWYNBADRINBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-15(16-10-12-4-2-1-3-5-12)11-21-14-8-6-13(7-9-14)17(19)20/h1-9H,10-11H2,(H,16,18).
What are the key properties of N-benzyl-2-(4-nitrophenoxy)acetamide?
N-benzyl-2-(4-nitrophenoxy)acetamide has a molecular weight of 286.29 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 2787239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).