N-cyclopropyl-2-(2-nitrophenoxy)acetamide

C11H12N2O4 — CID 2500572

IUPACN-cyclopropyl-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NC1CC1
InChIInChI=1S/C11H12N2O4/c14-11(12-8-5-6-8)7-17-10-4-2-1-3-9(10)13(15)16/h1-4,8H,5-7H2,(H,12,14)
InChIKeyIHPZSPDAHCIZJS-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.25
Rot. Bonds5

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

N-cyclopropyl-2-(2-nitrophenoxy)acetamide (PubChem CID 2500572) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-nitrophenoxy)acetamide
PubChem CID2500572
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC NameN-cyclopropyl-2-(2-nitrophenoxy)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])NC1CC1
InChIInChI=1S/C11H12N2O4/c14-11(12-8-5-6-8)7-17-10-4-2-1-3-9(10)13(15)16/h1-4,8H,5-7H2,(H,12,14)
InChIKeyIHPZSPDAHCIZJS-UHFFFAOYSA-N
XLogP1.25
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.25
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-[2-(cyclohexen-1-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500325
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2568109
2-(5-fluoro-2-nitrophenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4788373
N-(1-cyanocyclohexyl)-2-(2-nitrophenoxy)acetamide
CID 8285101
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-nitrophenoxy)acetamide
CID 16322266
2-(2-Nitrophenoxy)acetohydrazide
CID 719765
2-(4-chloro-2-nitrophenoxy)-N-cyclohexylacetamide
CID 973131
2-(4-nitrophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 977949
N-Isobutyl-2-(2-nitrophenoxy)acetamide
CID 2500401
2-(5-fluoro-2-nitrophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
CID 2567489
[2-(Cyclopentylamino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2570272

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-cyclopropyl-2-(2-nitrophenoxy)acetamide (CID 2500572) is N-cyclopropyl-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-cyclopropyl-2-(2-nitrophenoxy)acetamide is O=C(COc1ccccc1[N+](=O)[O-])NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(2-nitrophenoxy)acetamide?
The InChIKey is IHPZSPDAHCIZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-11(12-8-5-6-8)7-17-10-4-2-1-3-9(10)13(15)16/h1-4,8H,5-7H2,(H,12,14).
What are the key properties of N-cyclopropyl-2-(2-nitrophenoxy)acetamide?
N-cyclopropyl-2-(2-nitrophenoxy)acetamide has a molecular weight of 236.23 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 2500572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).