(2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide

C17H15N3O5 — CID 7382527

IUPAC(2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccccc1C#N
InChIInChI=1S/C17H15N3O5/c1-11(25-15-6-4-3-5-12(15)10-18)17(21)19-14-8-7-13(20(22)23)9-16(14)24-2/h3-9,11H,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyVMJDLVYCUVIFGN-NSHDSACASA-N
MW341.32 g/mol
LogP2.88
Rot. Bonds6

About (2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide

(2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide (PubChem CID 7382527) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is (2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
PubChem CID7382527
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name(2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccccc1C#N
InChIInChI=1S/C17H15N3O5/c1-11(25-15-6-4-3-5-12(15)10-18)17(21)19-14-8-7-13(20(22)23)9-16(14)24-2/h3-9,11H,1-2H3,(H,19,21)/t11-/m0/s1
InChIKeyVMJDLVYCUVIFGN-NSHDSACASA-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

(2R)-2-(2-cyanophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2565716
2-(2-cyanophenoxy)-N-(2-fluoro-5-nitrophenyl)propanamide
CID 60528472
(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7757422
(2R)-N-(2-methoxy-4-nitrophenyl)-2-naphthalen-1-yloxypropanamide
CID 7851039
(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
CID 7816909
(2S)-2-(4-acetylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7763855
[1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] benzoate
CID 17425338
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7409517
N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 46650196
2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 53266234
(2S)-N-(2-ethoxyphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947212
(2R)-2-(2-chloro-4-nitrophenoxy)-N-(2-cyanophenyl)propanamide
CID 7865952

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide?
The IUPAC name of (2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide (CID 7382527) is (2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide.
What is the SMILES notation for (2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide?
The canonical SMILES for (2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide is COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1ccccc1C#N.
What is the InChIKey of (2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide?
The InChIKey is VMJDLVYCUVIFGN-NSHDSACASA-N. The full InChI is InChI=1S/C17H15N3O5/c1-11(25-15-6-4-3-5-12(15)10-18)17(21)19-14-8-7-13(20(22)23)9-16(14)24-2/h3-9,11H,1-2H3,(H,19,21)/t11-/m0/s1.
What are the key properties of (2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide?
(2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)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 (2S)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide is sourced from PubChem (CID 7382527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).