(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide

C18H17N3O6 — CID 7757422

IUPAC(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1OC
InChIInChI=1S/C18H17N3O6/c1-11(27-15-7-4-12(10-19)8-17(15)26-3)18(22)20-14-6-5-13(21(23)24)9-16(14)25-2/h4-9,11H,1-3H3,(H,20,22)/t11-/m1/s1
InChIKeyFPBZFAQEVRXUOX-LLVKDONJSA-N
MW371.35 g/mol
LogP2.89
Rot. Bonds7

About (2R)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide

(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide (PubChem CID 7757422) has the molecular formula C18H17N3O6 and a molecular weight of 371.35 g/mol. Its IUPAC name is (2R)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
PubChem CID7757422
Molecular FormulaC18H17N3O6
Molecular Weight371.35 g/mol
Exact Mass371.11
IUPAC Name(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1OC
InChIInChI=1S/C18H17N3O6/c1-11(27-15-7-4-12(10-19)8-17(15)26-3)18(22)20-14-6-5-13(21(23)24)9-16(14)25-2/h4-9,11H,1-3H3,(H,20,22)/t11-/m1/s1
InChIKeyFPBZFAQEVRXUOX-LLVKDONJSA-N
XLogP2.89
TPSA123.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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)-2-(2-cyanophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7382527
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyphenyl)propanamide
CID 7757378
[(2S)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] (2R)-2-(4-cyanophenoxy)propanoate
CID 7983907
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7409517
(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
CID 7816909
(2R)-N-(3-cyanophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 7931796
(2S)-2-(4-chloro-2-nitrophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7990835
2-(3,5-dimethylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 53266234
2-(4-ethoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 53267146
(2R)-2-(2-cyanophenoxy)-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2565716
(2R)-N-(2-methoxy-4-nitrophenyl)-2-naphthalen-1-yloxypropanamide
CID 7851039
2-cyano-N-(2-methoxy-4-nitrophenyl)-3-methylbutanamide
CID 62881537

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide?
The IUPAC name of (2R)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide (CID 7757422) is (2R)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide?
The canonical SMILES for (2R)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide is COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1OC.
What is the InChIKey of (2R)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide?
The InChIKey is FPBZFAQEVRXUOX-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17N3O6/c1-11(27-15-7-4-12(10-19)8-17(15)26-3)18(22)20-14-6-5-13(21(23)24)9-16(14)25-2/h4-9,11H,1-3H3,(H,20,22)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide?
(2R)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide has a molecular weight of 371.35 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide is sourced from PubChem (CID 7757422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).