N-(2-ethoxy-4-nitrophenyl)acetamide

C10H12N2O4 — CID 2877953

IUPACN-(2-ethoxy-4-nitrophenyl)acetamide
SMILESCCOc1cc([N+](=O)[O-])ccc1NC(C)=O
InChIInChI=1S/C10H12N2O4/c1-3-16-10-6-8(12(14)15)4-5-9(10)11-7(2)13/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyXZWVZJDHIDYKPB-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.95
Rot. Bonds4

About N-(2-ethoxy-4-nitrophenyl)acetamide

N-(2-ethoxy-4-nitrophenyl)acetamide (PubChem CID 2877953) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-(2-ethoxy-4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-ethoxy-4-nitrophenyl)acetamide
PubChem CID2877953
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC NameN-(2-ethoxy-4-nitrophenyl)acetamide
SMILESCCOc1cc([N+](=O)[O-])ccc1NC(C)=O
InChIInChI=1S/C10H12N2O4/c1-3-16-10-6-8(12(14)15)4-5-9(10)11-7(2)13/h4-6H,3H2,1-2H3,(H,11,13)
InChIKeyXZWVZJDHIDYKPB-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
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

2-Methoxy-4-nitroaniline
CID 7337
HC Yellow 4
CID 62158
3'-Nitro-p-acetophenetidide
CID 15685
o-Ethoxyacetanilide
CID 11383
3'-Ethoxyacetanilide
CID 11570
N-(2,5-Dimethoxyphenyl)acetamide
CID 77015
Acetamide, N-(4-methoxy-2-nitrophenyl)-
CID 67075
5'-Nitro-2'-propoxyacetanilide
CID 68377
N-(4-nitrophenyl)-2-phenoxyacetamide
CID 309593
4-[(2-Methoxy-4-nitrophenyl)amino]-4-oxo-2-butenoic acid
CID 5736340
Butanamide, 2-((2-methoxy-4-nitrophenyl)azo)-N-(2-methoxyphenyl)-3-oxo-
CID 22829
2(3H)-Benzoxazolone, 6-nitro-
CID 78419

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-nitrophenyl)acetamide?
The IUPAC name of N-(2-ethoxy-4-nitrophenyl)acetamide (CID 2877953) is N-(2-ethoxy-4-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-ethoxy-4-nitrophenyl)acetamide?
The canonical SMILES for N-(2-ethoxy-4-nitrophenyl)acetamide is CCOc1cc([N+](=O)[O-])ccc1NC(C)=O.
What is the InChIKey of N-(2-ethoxy-4-nitrophenyl)acetamide?
The InChIKey is XZWVZJDHIDYKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-3-16-10-6-8(12(14)15)4-5-9(10)11-7(2)13/h4-6H,3H2,1-2H3,(H,11,13).
What are the key properties of N-(2-ethoxy-4-nitrophenyl)acetamide?
N-(2-ethoxy-4-nitrophenyl)acetamide has a molecular weight of 224.22 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-nitrophenyl)acetamide is sourced from PubChem (CID 2877953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).