(2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide

C17H18N2O5 — CID 9172432

IUPAC(2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
SMILESCC[C@@H](Oc1ccccc1OC)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O5/c1-3-14(24-16-10-5-4-9-15(16)23-2)17(20)18-12-7-6-8-13(11-12)19(21)22/h4-11,14H,3H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyIOMYOVROIARVKB-CQSZACIVSA-N
MW330.34 g/mol
LogP3.40
Rot. Bonds7

About (2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide

(2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide (PubChem CID 9172432) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is (2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
PubChem CID9172432
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name(2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
SMILESCC[C@@H](Oc1ccccc1OC)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O5/c1-3-14(24-16-10-5-4-9-15(16)23-2)17(20)18-12-7-6-8-13(11-12)19(21)22/h4-11,14H,3H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyIOMYOVROIARVKB-CQSZACIVSA-N
XLogP3.40
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-naphthalen-1-yloxy-N-(3-nitrophenyl)butanamide
CID 92684735
2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide
CID 17150578
(2S)-2-(2,3-dimethylphenoxy)-N-(3-nitrophenyl)butanamide
CID 99958785
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
CID 21368486
(2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide
CID 92682200
(2R)-2-ethoxy-N-(3-nitrophenyl)butanamide
CID 94183984
2-(4-ethylphenoxy)-N-(3-nitrophenyl)butanamide
CID 132651293
N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)butanamide
CID 17034114
N-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
CID 17034086
(2S)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide
CID 30393331
(2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide
CID 92680294
N-(2-methoxy-5-nitrophenyl)-2-phenoxybutanamide
CID 2931263

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide?
The IUPAC name of (2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide (CID 9172432) is (2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide.
What is the SMILES notation for (2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide?
The canonical SMILES for (2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide is CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide?
The InChIKey is IOMYOVROIARVKB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-3-14(24-16-10-5-4-9-15(16)23-2)17(20)18-12-7-6-8-13(11-12)19(21)22/h4-11,14H,3H2,1-2H3,(H,18,20)/t14-/m1/s1.
What are the key properties of (2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide?
(2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide has a molecular weight of 330.34 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide is sourced from PubChem (CID 9172432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).