2-(2-nitrophenoxy)-N-propylacetamide

C11H14N2O4 — CID 2500409

IUPAC2-(2-nitrophenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O4/c1-2-7-12-11(14)8-17-10-6-4-3-5-9(10)13(15)16/h3-6H,2,7-8H2,1H3,(H,12,14)
InChIKeyAAGGCGZIYMJGNC-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.50
Rot. Bonds6

About 2-(2-nitrophenoxy)-N-propylacetamide

2-(2-nitrophenoxy)-N-propylacetamide (PubChem CID 2500409) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-propylacetamide
PubChem CID2500409
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-(2-nitrophenoxy)-N-propylacetamide
SMILESCCCNC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O4/c1-2-7-12-11(14)8-17-10-6-4-3-5-9(10)13(15)16/h3-6H,2,7-8H2,1H3,(H,12,14)
InChIKeyAAGGCGZIYMJGNC-UHFFFAOYSA-N
XLogP1.50
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.50
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

3'-Nitro-p-acetophenetidide
CID 15685
Ace-011
CID 2877953
5'-Nitro-2'-propoxyacetanilide
CID 68377
N-(4-nitrophenyl)-2-phenoxyacetamide
CID 309593
4-[2-(2-Nitrophenoxy)ethyl]morpholine
CID 867361
2-Nitrophenyl N-methylcarbamate
CID 23840
2-Propanone, 1-(2-nitrophenoxy)-
CID 79239
[2-(2-Methoxy-5-nitroanilino)-2-oxoethyl] acetate
CID 2351966
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
N-(3-nitrophenyl)-2-phenoxypropanamide
CID 2891445

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-propylacetamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-propylacetamide (CID 2500409) is 2-(2-nitrophenoxy)-N-propylacetamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-propylacetamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-propylacetamide is CCCNC(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitrophenoxy)-N-propylacetamide?
The InChIKey is AAGGCGZIYMJGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-7-12-11(14)8-17-10-6-4-3-5-9(10)13(15)16/h3-6H,2,7-8H2,1H3,(H,12,14).
What are the key properties of 2-(2-nitrophenoxy)-N-propylacetamide?
2-(2-nitrophenoxy)-N-propylacetamide has a molecular weight of 238.24 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-propylacetamide is sourced from PubChem (CID 2500409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).