N-ethyl-2-(2-nitrophenoxy)acetamide

C10H12N2O4 — CID 2500383

IUPACN-ethyl-2-(2-nitrophenoxy)acetamide
SMILESCCNC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O4/c1-2-11-10(13)7-16-9-6-4-3-5-8(9)12(14)15/h3-6H,2,7H2,1H3,(H,11,13)
InChIKeyIFONFRSGSVYKPQ-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.11
Rot. Bonds5

About N-ethyl-2-(2-nitrophenoxy)acetamide

N-ethyl-2-(2-nitrophenoxy)acetamide (PubChem CID 2500383) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-ethyl-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-nitrophenoxy)acetamide
PubChem CID2500383
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC NameN-ethyl-2-(2-nitrophenoxy)acetamide
SMILESCCNC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O4/c1-2-11-10(13)7-16-9-6-4-3-5-8(9)12(14)15/h3-6H,2,7H2,1H3,(H,11,13)
InChIKeyIFONFRSGSVYKPQ-UHFFFAOYSA-N
XLogP1.11
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.11
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-[(2R)-2-(ethylamino)propyl]-2-(2-nitrophenoxy)acetamide;hydrochloride
CID 120653870
2-(2-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 2500342
2,2-dimethyl-3-[[2-(2-nitrophenoxy)acetyl]amino]propanoic acid
CID 115427230
N-[2-(4-ethoxyphenoxy)ethyl]-2-(2-nitrophenoxy)acetamide
CID 27875414
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
N-(4-hydroxybutyl)-2-(2-nitrophenoxy)acetamide
CID 106843022
N-[3-(hydroxymethyl)pentan-3-yl]-2-(2-nitrophenoxy)acetamide
CID 62520470
N-(2-bromoprop-2-enyl)-2-(2-nitrophenoxy)acetamide
CID 47439210
N-(4-methylpentyl)-2-(2-nitrophenoxy)acetamide
CID 134023288
3-ethoxy-N'-[2-(2-nitrophenoxy)acetyl]propanehydrazide
CID 17357929
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500657

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-ethyl-2-(2-nitrophenoxy)acetamide (CID 2500383) is N-ethyl-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-ethyl-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-ethyl-2-(2-nitrophenoxy)acetamide is CCNC(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-2-(2-nitrophenoxy)acetamide?
The InChIKey is IFONFRSGSVYKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-2-11-10(13)7-16-9-6-4-3-5-8(9)12(14)15/h3-6H,2,7H2,1H3,(H,11,13).
What are the key properties of N-ethyl-2-(2-nitrophenoxy)acetamide?
N-ethyl-2-(2-nitrophenoxy)acetamide has a molecular weight of 224.22 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 2500383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).