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

C12H16N2O4 — CID 94183984

IUPAC(2R)-2-ethoxy-N-(3-nitrophenyl)butanamide
SMILESCCO[C@H](CC)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H16N2O4/c1-3-11(18-4-2)12(15)13-9-6-5-7-10(8-9)14(16)17/h5-8,11H,3-4H2,1-2H3,(H,13,15)/t11-/m1/s1
InChIKeyXRINZKGIGMOHRM-LLVKDONJSA-N
MW252.27 g/mol
LogP2.35
Rot. Bonds6

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

(2R)-2-ethoxy-N-(3-nitrophenyl)butanamide (PubChem CID 94183984) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2R)-2-ethoxy-N-(3-nitrophenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-ethoxy-N-(3-nitrophenyl)butanamide
PubChem CID94183984
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name(2R)-2-ethoxy-N-(3-nitrophenyl)butanamide
SMILESCCO[C@H](CC)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H16N2O4/c1-3-11(18-4-2)12(15)13-9-6-5-7-10(8-9)14(16)17/h5-8,11H,3-4H2,1-2H3,(H,13,15)/t11-/m1/s1
InChIKeyXRINZKGIGMOHRM-LLVKDONJSA-N
XLogP2.35
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-2-ethoxy-N-(3-nitrophenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
CID 21368486
(2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
CID 9172432
2-(4-ethylphenoxy)-N-(3-nitrophenyl)butanamide
CID 132651293
(2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide
CID 92682200
(2R)-2-naphthalen-1-yloxy-N-(3-nitrophenyl)butanamide
CID 92684735
(2S)-2-(2,3-dimethylphenoxy)-N-(3-nitrophenyl)butanamide
CID 99958785
(2S)-2-amino-3-methyl-N-(3-nitrophenyl)pentanamide
CID 61172453
2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide
CID 17150578
2-(carbamoylamino)-3-methyl-N-(3-nitrophenyl)pentanamide
CID 78512638
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-nitrophenyl)butanamide
CID 133186860
2-amino-N-(3-nitrophenyl)pentanamide
CID 113223757
3-methyl-N-(3-nitrophenyl)butanamide
CID 4312967

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-N-(3-nitrophenyl)butanamide?
The IUPAC name of (2R)-2-ethoxy-N-(3-nitrophenyl)butanamide (CID 94183984) is (2R)-2-ethoxy-N-(3-nitrophenyl)butanamide.
What is the SMILES notation for (2R)-2-ethoxy-N-(3-nitrophenyl)butanamide?
The canonical SMILES for (2R)-2-ethoxy-N-(3-nitrophenyl)butanamide is CCO[C@H](CC)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (2R)-2-ethoxy-N-(3-nitrophenyl)butanamide?
The InChIKey is XRINZKGIGMOHRM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-3-11(18-4-2)12(15)13-9-6-5-7-10(8-9)14(16)17/h5-8,11H,3-4H2,1-2H3,(H,13,15)/t11-/m1/s1.
What are the key properties of (2R)-2-ethoxy-N-(3-nitrophenyl)butanamide?
(2R)-2-ethoxy-N-(3-nitrophenyl)butanamide has a molecular weight of 252.27 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-N-(3-nitrophenyl)butanamide is sourced from PubChem (CID 94183984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).