2-(5-formyl-2-nitrophenoxy)-N-propan-2-ylpropanamide

C13H16N2O5 — CID 62114325

IUPAC2-(5-formyl-2-nitrophenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Oc1cc(C=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H16N2O5/c1-8(2)14-13(17)9(3)20-12-6-10(7-16)4-5-11(12)15(18)19/h4-9H,1-3H3,(H,14,17)
InChIKeyRSZWKYXXSBHDDI-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.70
Rot. Bonds6

About 2-(5-formyl-2-nitrophenoxy)-N-propan-2-ylpropanamide

2-(5-formyl-2-nitrophenoxy)-N-propan-2-ylpropanamide (PubChem CID 62114325) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(5-formyl-2-nitrophenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(5-formyl-2-nitrophenoxy)-N-propan-2-ylpropanamide
PubChem CID62114325
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-(5-formyl-2-nitrophenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)Oc1cc(C=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H16N2O5/c1-8(2)14-13(17)9(3)20-12-6-10(7-16)4-5-11(12)15(18)19/h4-9H,1-3H3,(H,14,17)
InChIKeyRSZWKYXXSBHDDI-UHFFFAOYSA-N
XLogP1.70
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.70
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

2-(5-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 62116591
2-(4-formyl-2-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 43084736
(2R)-2-(4-formyl-2-nitrophenoxy)-N-(2-methylpropyl)propanamide
CID 8558961
2-(4-formyl-2-nitrophenoxy)-N-prop-2-ynylpropanamide
CID 43244160
2-(4-formyl-2-nitrophenoxy)propanamide
CID 43082661
(2R)-N-(cyclopentylcarbamoyl)-2-(4-formyl-2-nitrophenoxy)propanamide
CID 8559266
(2S)-N-(2,4-dimethylphenyl)-2-(4-formyl-2-nitrophenoxy)propanamide
CID 8558864
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-formyl-2-nitrophenoxy)propanamide
CID 8559100
2-(5-fluoro-2-nitrophenoxy)propanehydrazide
CID 63574593
(2R)-N-(2-bromo-4-methylphenyl)-2-(4-formyl-2-nitrophenoxy)propanamide
CID 8559143
N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 78913281
(2R)-N-cyclopentyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 2631804

Frequently Asked Questions

What is the IUPAC name of 2-(5-formyl-2-nitrophenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(5-formyl-2-nitrophenoxy)-N-propan-2-ylpropanamide (CID 62114325) is 2-(5-formyl-2-nitrophenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(5-formyl-2-nitrophenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(5-formyl-2-nitrophenoxy)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)Oc1cc(C=O)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(5-formyl-2-nitrophenoxy)-N-propan-2-ylpropanamide?
The InChIKey is RSZWKYXXSBHDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-8(2)14-13(17)9(3)20-12-6-10(7-16)4-5-11(12)15(18)19/h4-9H,1-3H3,(H,14,17).
What are the key properties of 2-(5-formyl-2-nitrophenoxy)-N-propan-2-ylpropanamide?
2-(5-formyl-2-nitrophenoxy)-N-propan-2-ylpropanamide has a molecular weight of 280.28 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formyl-2-nitrophenoxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 62114325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).