(2R)-N-(3-cyanophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide

C17H15N3O5 — CID 7931796

IUPAC(2R)-N-(3-cyanophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H15N3O5/c1-11(17(21)19-13-5-3-4-12(8-13)10-18)25-16-9-14(20(22)23)6-7-15(16)24-2/h3-9,11H,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyJSSDYAHUUVDDAF-LLVKDONJSA-N
MW341.32 g/mol
LogP2.88
Rot. Bonds6

About (2R)-N-(3-cyanophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide

(2R)-N-(3-cyanophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide (PubChem CID 7931796) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is (2R)-N-(3-cyanophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-cyanophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
PubChem CID7931796
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name(2R)-N-(3-cyanophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H15N3O5/c1-11(17(21)19-13-5-3-4-12(8-13)10-18)25-16-9-14(20(22)23)6-7-15(16)24-2/h3-9,11H,1-2H3,(H,19,21)/t11-/m1/s1
InChIKeyJSSDYAHUUVDDAF-LLVKDONJSA-N
XLogP2.88
TPSA114.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(2S)-N-(3-cyanophenyl)-2-(2-nitrophenoxy)propanamide
CID 7819136
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947242
(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide
CID 8947121
(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7757422
N-(3-cyanophenyl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]propanamide
CID 4964242
(2R)-N-(4-bromophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 7931785
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4,5-dimethoxy-2-nitrobenzoate
CID 7583024
(2S)-2-(2-chloro-4-nitrophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8956878
[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-(methylamino)-5-nitrobenzoate
CID 7752139
(2R)-N-(3-bromophenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 8978416
(2R)-N-(3-acetylphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7757274
(2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947062

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-cyanophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-(3-cyanophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide (CID 7931796) is (2R)-N-(3-cyanophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(3-cyanophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-(3-cyanophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide is COc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of (2R)-N-(3-cyanophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide?
The InChIKey is JSSDYAHUUVDDAF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15N3O5/c1-11(17(21)19-13-5-3-4-12(8-13)10-18)25-16-9-14(20(22)23)6-7-15(16)24-2/h3-9,11H,1-2H3,(H,19,21)/t11-/m1/s1.
What are the key properties of (2R)-N-(3-cyanophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide?
(2R)-N-(3-cyanophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide has a molecular weight of 341.32 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-cyanophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide is sourced from PubChem (CID 7931796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).