N-[3-(1-nitroethoxy)phenyl]acetamide

C10H12N2O4 — CID 70578301

IUPACN-[3-(1-nitroethoxy)phenyl]acetamide
SMILESCC(=O)Nc1cccc(OC(C)[N+](=O)[O-])c1
InChIInChI=1S/C10H12N2O4/c1-7(13)11-9-4-3-5-10(6-9)16-8(2)12(14)15/h3-6,8H,1-2H3,(H,11,13)
InChIKeyGVBNCXBHLIXEQR-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.65
Rot. Bonds4

About N-[3-(1-nitroethoxy)phenyl]acetamide

N-[3-(1-nitroethoxy)phenyl]acetamide (PubChem CID 70578301) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-[3-(1-nitroethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(1-nitroethoxy)phenyl]acetamide
PubChem CID70578301
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC NameN-[3-(1-nitroethoxy)phenyl]acetamide
SMILESCC(=O)Nc1cccc(OC(C)[N+](=O)[O-])c1
InChIInChI=1S/C10H12N2O4/c1-7(13)11-9-4-3-5-10(6-9)16-8(2)12(14)15/h3-6,8H,1-2H3,(H,11,13)
InChIKeyGVBNCXBHLIXEQR-UHFFFAOYSA-N
XLogP1.65
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
N-[3-[1-(aminomethoxy)ethoxy]phenyl]acetamide
CID 67863898
N-[3-(2-hydroxypropoxy)phenyl]acetamide
CID 65277606
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
2-nitro-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154668
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
N-[3-(2-methylpropoxy)phenyl]-2-(4-nitrophenoxy)propanamide
CID 17079629
N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17154871
2-(4-acetamidophenoxy)-N-(3-methoxyphenyl)propanamide
CID 4884235
N-[3-[2-(bromomethyl)-3-methylbutoxy]phenyl]acetamide
CID 65011994
N-[1-(3-acetamidophenoxy)-2,2,2-trichloroethyl]-2-nitrobenzamide
CID 3093435
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-nitroethoxy)phenyl]acetamide?
The IUPAC name of N-[3-(1-nitroethoxy)phenyl]acetamide (CID 70578301) is N-[3-(1-nitroethoxy)phenyl]acetamide.
What is the SMILES notation for N-[3-(1-nitroethoxy)phenyl]acetamide?
The canonical SMILES for N-[3-(1-nitroethoxy)phenyl]acetamide is CC(=O)Nc1cccc(OC(C)[N+](=O)[O-])c1.
What is the InChIKey of N-[3-(1-nitroethoxy)phenyl]acetamide?
The InChIKey is GVBNCXBHLIXEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-7(13)11-9-4-3-5-10(6-9)16-8(2)12(14)15/h3-6,8H,1-2H3,(H,11,13).
What are the key properties of N-[3-(1-nitroethoxy)phenyl]acetamide?
N-[3-(1-nitroethoxy)phenyl]acetamide has a molecular weight of 224.22 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-nitroethoxy)phenyl]acetamide is sourced from PubChem (CID 70578301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).