(2R)-N-(4-ethoxy-2-nitrophenyl)-2-phenoxybutanamide

C18H20N2O5 — CID 7409386

IUPAC(2R)-N-(4-ethoxy-2-nitrophenyl)-2-phenoxybutanamide
SMILESCCOc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H20N2O5/c1-3-17(25-13-8-6-5-7-9-13)18(21)19-15-11-10-14(24-4-2)12-16(15)20(22)23/h5-12,17H,3-4H2,1-2H3,(H,19,21)/t17-/m1/s1
InChIKeyRGNNHKTWIUVKMI-QGZVFWFLSA-N
MW344.37 g/mol
LogP3.79
Rot. Bonds8

About (2R)-N-(4-ethoxy-2-nitrophenyl)-2-phenoxybutanamide

(2R)-N-(4-ethoxy-2-nitrophenyl)-2-phenoxybutanamide (PubChem CID 7409386) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is (2R)-N-(4-ethoxy-2-nitrophenyl)-2-phenoxybutanamide.

Molecular Properties

Compound Name(2R)-N-(4-ethoxy-2-nitrophenyl)-2-phenoxybutanamide
PubChem CID7409386
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name(2R)-N-(4-ethoxy-2-nitrophenyl)-2-phenoxybutanamide
SMILESCCOc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H20N2O5/c1-3-17(25-13-8-6-5-7-9-13)18(21)19-15-11-10-14(24-4-2)12-16(15)20(22)23/h5-12,17H,3-4H2,1-2H3,(H,19,21)/t17-/m1/s1
InChIKeyRGNNHKTWIUVKMI-QGZVFWFLSA-N
XLogP3.79
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.79
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

N-(4-methyl-2-nitrophenyl)-2-phenoxybutanamide
CID 2932932
N-(4-ethoxy-2-nitrophenyl)-2-(4-phenoxyphenoxy)propanamide
CID 18837892
N-(4-ethoxy-2-nitrophenyl)-2-phenoxyacetamide
CID 2876934
2-amino-N-(4-ethoxy-2-nitrophenyl)-3-methylbutanamide
CID 60780427
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] (2R)-2-phenoxybutanoate
CID 7233372
ethyl N-(4-ethoxy-2-nitrophenyl)carbamate
CID 4110254
2-(4-ethoxyphenoxy)-N-(2-nitrophenyl)propanamide
CID 53267271
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
N-(2-methoxy-5-nitrophenyl)-2-phenoxybutanamide
CID 2931263
N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247
(2S)-2-(3-chlorophenoxy)-N-(2-methyl-3-nitrophenyl)butanamide
CID 28575679
2-N,6-N-bis(4-ethoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 4079901

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-ethoxy-2-nitrophenyl)-2-phenoxybutanamide?
The IUPAC name of (2R)-N-(4-ethoxy-2-nitrophenyl)-2-phenoxybutanamide (CID 7409386) is (2R)-N-(4-ethoxy-2-nitrophenyl)-2-phenoxybutanamide.
What is the SMILES notation for (2R)-N-(4-ethoxy-2-nitrophenyl)-2-phenoxybutanamide?
The canonical SMILES for (2R)-N-(4-ethoxy-2-nitrophenyl)-2-phenoxybutanamide is CCOc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of (2R)-N-(4-ethoxy-2-nitrophenyl)-2-phenoxybutanamide?
The InChIKey is RGNNHKTWIUVKMI-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-3-17(25-13-8-6-5-7-9-13)18(21)19-15-11-10-14(24-4-2)12-16(15)20(22)23/h5-12,17H,3-4H2,1-2H3,(H,19,21)/t17-/m1/s1.
What are the key properties of (2R)-N-(4-ethoxy-2-nitrophenyl)-2-phenoxybutanamide?
(2R)-N-(4-ethoxy-2-nitrophenyl)-2-phenoxybutanamide has a molecular weight of 344.37 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-ethoxy-2-nitrophenyl)-2-phenoxybutanamide is sourced from PubChem (CID 7409386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).