(2S)-2-(2-formylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide

C17H16N2O6 — CID 7762594

IUPAC(2S)-2-(2-formylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1C=O
InChIInChI=1S/C17H16N2O6/c1-11(25-15-6-4-3-5-12(15)10-20)17(21)18-14-9-13(19(22)23)7-8-16(14)24-2/h3-11H,1-2H3,(H,18,21)/t11-/m0/s1
InChIKeyQPLBIDXDUBPODF-NSHDSACASA-N
MW344.32 g/mol
LogP2.82
Rot. Bonds7

About (2S)-2-(2-formylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide

(2S)-2-(2-formylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide (PubChem CID 7762594) has the molecular formula C17H16N2O6 and a molecular weight of 344.32 g/mol. Its IUPAC name is (2S)-2-(2-formylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-formylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
PubChem CID7762594
Molecular FormulaC17H16N2O6
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC Name(2S)-2-(2-formylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1C=O
InChIInChI=1S/C17H16N2O6/c1-11(25-15-6-4-3-5-12(15)10-20)17(21)18-14-9-13(19(22)23)7-8-16(14)24-2/h3-11H,1-2H3,(H,18,21)/t11-/m0/s1
InChIKeyQPLBIDXDUBPODF-NSHDSACASA-N
XLogP2.82
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819024
N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43875640
(2S)-2-(2-chlorophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2707147
(2R)-2-(2-cyanophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2565716
(2R)-2-(1-formylnaphthalen-2-yl)oxy-N-(2-methoxy-5-nitrophenyl)propanamide
CID 7763186
(2S)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564228
(2R)-N-(2-methoxy-5-nitrophenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 2564232
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
CID 8733327
(2R)-N-(2,5-dimethylphenyl)-2-(2-formyl-4-nitrophenoxy)propanamide
CID 8733164
N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 46650196
(2S)-N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
CID 897896
(2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947062

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-formylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide?
The IUPAC name of (2S)-2-(2-formylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide (CID 7762594) is (2S)-2-(2-formylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-formylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide?
The canonical SMILES for (2S)-2-(2-formylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccccc1C=O.
What is the InChIKey of (2S)-2-(2-formylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide?
The InChIKey is QPLBIDXDUBPODF-NSHDSACASA-N. The full InChI is InChI=1S/C17H16N2O6/c1-11(25-15-6-4-3-5-12(15)10-20)17(21)18-14-9-13(19(22)23)7-8-16(14)24-2/h3-11H,1-2H3,(H,18,21)/t11-/m0/s1.
What are the key properties of (2S)-2-(2-formylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide?
(2S)-2-(2-formylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide has a molecular weight of 344.32 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-formylphenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide is sourced from PubChem (CID 7762594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).