2-[2-(4-formyl-2-nitroanilino)ethoxy]acetamide

C11H13N3O5 — CID 106239852

IUPAC2-[2-(4-formyl-2-nitroanilino)ethoxy]acetamide
SMILESNC(=O)COCCNc1ccc(C=O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13N3O5/c12-11(16)7-19-4-3-13-9-2-1-8(6-15)5-10(9)14(17)18/h1-2,5-6,13H,3-4,7H2,(H2,12,16)
InChIKeyOFRBTWMPOBNKAX-UHFFFAOYSA-N
MW267.24 g/mol
LogP0.32
Rot. Bonds8

About 2-[2-(4-formyl-2-nitroanilino)ethoxy]acetamide

2-[2-(4-formyl-2-nitroanilino)ethoxy]acetamide (PubChem CID 106239852) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-[2-(4-formyl-2-nitroanilino)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(4-formyl-2-nitroanilino)ethoxy]acetamide
PubChem CID106239852
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name2-[2-(4-formyl-2-nitroanilino)ethoxy]acetamide
SMILESNC(=O)COCCNc1ccc(C=O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13N3O5/c12-11(16)7-19-4-3-13-9-2-1-8(6-15)5-10(9)14(17)18/h1-2,5-6,13H,3-4,7H2,(H2,12,16)
InChIKeyOFRBTWMPOBNKAX-UHFFFAOYSA-N
XLogP0.32
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

4-[2-(2-methoxyethoxy)ethylamino]-3-nitrobenzaldehyde
CID 83105463
4-(2-but-3-enoxyethylamino)-3-nitrobenzaldehyde
CID 106405179
2-[2-(5-chloro-2-nitroanilino)ethoxy]acetamide
CID 106239649
3-(4-formyl-2-nitroanilino)-2-hydroxypropanamide
CID 106177769
3-nitro-4-(octylamino)benzaldehyde
CID 83108802
2-(4-formyl-2-nitrophenoxy)acetamide
CID 43082663
4-(2-methylsulfanylethylamino)-3-nitrobenzaldehyde
CID 78906942
3-nitro-4-(4-propan-2-yloxybutylamino)benzaldehyde
CID 106012522
2-[2-(4-methoxy-2-nitroanilino)ethoxy]acetic acid
CID 79456576
ethyl 2-(4-formyl-2-nitroanilino)propanoate
CID 83105127
4-(2-but-3-enoxyethylamino)-3-nitrobenzamide
CID 103853769
2-(4-formyl-2-nitrophenyl)acetamide
CID 87921397

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-formyl-2-nitroanilino)ethoxy]acetamide?
The IUPAC name of 2-[2-(4-formyl-2-nitroanilino)ethoxy]acetamide (CID 106239852) is 2-[2-(4-formyl-2-nitroanilino)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(4-formyl-2-nitroanilino)ethoxy]acetamide?
The canonical SMILES for 2-[2-(4-formyl-2-nitroanilino)ethoxy]acetamide is NC(=O)COCCNc1ccc(C=O)cc1[N+](=O)[O-].
What is the InChIKey of 2-[2-(4-formyl-2-nitroanilino)ethoxy]acetamide?
The InChIKey is OFRBTWMPOBNKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c12-11(16)7-19-4-3-13-9-2-1-8(6-15)5-10(9)14(17)18/h1-2,5-6,13H,3-4,7H2,(H2,12,16).
What are the key properties of 2-[2-(4-formyl-2-nitroanilino)ethoxy]acetamide?
2-[2-(4-formyl-2-nitroanilino)ethoxy]acetamide has a molecular weight of 267.24 g/mol, XLogP of 0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-formyl-2-nitroanilino)ethoxy]acetamide is sourced from PubChem (CID 106239852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).