N-ethyl-3-(5-formyl-2-nitrophenoxy)propanamide

C12H14N2O5 — CID 62326492

IUPACN-ethyl-3-(5-formyl-2-nitrophenoxy)propanamide
SMILESCCNC(=O)CCOc1cc(C=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N2O5/c1-2-13-12(16)5-6-19-11-7-9(8-15)3-4-10(11)14(17)18/h3-4,7-8H,2,5-6H2,1H3,(H,13,16)
InChIKeyOXKNTLIZVZVKTE-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.31
Rot. Bonds7

About N-ethyl-3-(5-formyl-2-nitrophenoxy)propanamide

N-ethyl-3-(5-formyl-2-nitrophenoxy)propanamide (PubChem CID 62326492) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is N-ethyl-3-(5-formyl-2-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(5-formyl-2-nitrophenoxy)propanamide
PubChem CID62326492
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC NameN-ethyl-3-(5-formyl-2-nitrophenoxy)propanamide
SMILESCCNC(=O)CCOc1cc(C=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H14N2O5/c1-2-13-12(16)5-6-19-11-7-9(8-15)3-4-10(11)14(17)18/h3-4,7-8H,2,5-6H2,1H3,(H,13,16)
InChIKeyOXKNTLIZVZVKTE-UHFFFAOYSA-N
XLogP1.31
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

3-[5-(aminomethyl)-2-nitrophenoxy]-N-ethylpropanamide
CID 62325659
N-ethyl-3-(4-formyl-2-methoxyphenoxy)propanamide
CID 62326485
3-hexoxy-4-nitrobenzaldehyde
CID 62115715
3-(3-hydroxypropoxy)-4-nitrobenzaldehyde
CID 62115712
3-[2-[2-(5-formyl-2-nitrophenoxy)ethoxy]ethoxy]-4-nitrobenzaldehyde
CID 102336547
3-[3-[3-(methylamino)-3-oxopropoxy]-4-nitrophenyl]prop-2-enoic acid
CID 76939815
3-[2-(2-hydroxyethoxy)ethoxy]-4-nitrobenzaldehyde
CID 62114322
3-(2-hydroxy-2-methylpropoxy)-4-nitrobenzaldehyde
CID 62116416
N-ethyl-2-(4-formyl-2-nitrophenyl)sulfanylacetamide
CID 114234644
3-nitro-4-propoxybenzaldehyde
CID 28690176
[3-[3-(5-formyl-2-nitrophenoxy)propyl-methylamino]-1-hydroxy-1-[hydroxy(methyl)phosphoryl]propyl]-hydroxy-oxophosphanium
CID 90087145
3-[[4-(hydroxymethyl)phenyl]methoxy]-4-nitrobenzaldehyde
CID 115969403

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(5-formyl-2-nitrophenoxy)propanamide?
The IUPAC name of N-ethyl-3-(5-formyl-2-nitrophenoxy)propanamide (CID 62326492) is N-ethyl-3-(5-formyl-2-nitrophenoxy)propanamide.
What is the SMILES notation for N-ethyl-3-(5-formyl-2-nitrophenoxy)propanamide?
The canonical SMILES for N-ethyl-3-(5-formyl-2-nitrophenoxy)propanamide is CCNC(=O)CCOc1cc(C=O)ccc1[N+](=O)[O-].
What is the InChIKey of N-ethyl-3-(5-formyl-2-nitrophenoxy)propanamide?
The InChIKey is OXKNTLIZVZVKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-2-13-12(16)5-6-19-11-7-9(8-15)3-4-10(11)14(17)18/h3-4,7-8H,2,5-6H2,1H3,(H,13,16).
What are the key properties of N-ethyl-3-(5-formyl-2-nitrophenoxy)propanamide?
N-ethyl-3-(5-formyl-2-nitrophenoxy)propanamide has a molecular weight of 266.25 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(5-formyl-2-nitrophenoxy)propanamide is sourced from PubChem (CID 62326492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).