2-(4-ethylphenoxy)-N-(3-nitrophenyl)butanamide

C18H20N2O4 — CID 132651293

IUPAC2-(4-ethylphenoxy)-N-(3-nitrophenyl)butanamide
SMILESCCc1ccc(OC(CC)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H20N2O4/c1-3-13-8-10-16(11-9-13)24-17(4-2)18(21)19-14-6-5-7-15(12-14)20(22)23/h5-12,17H,3-4H2,1-2H3,(H,19,21)
InChIKeyUCWYRBJXTHJRHQ-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.95
Rot. Bonds7

About 2-(4-ethylphenoxy)-N-(3-nitrophenyl)butanamide

2-(4-ethylphenoxy)-N-(3-nitrophenyl)butanamide (PubChem CID 132651293) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(3-nitrophenyl)butanamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(3-nitrophenyl)butanamide
PubChem CID132651293
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-(4-ethylphenoxy)-N-(3-nitrophenyl)butanamide
SMILESCCc1ccc(OC(CC)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H20N2O4/c1-3-13-8-10-16(11-9-13)24-17(4-2)18(21)19-14-6-5-7-15(12-14)20(22)23/h5-12,17H,3-4H2,1-2H3,(H,19,21)
InChIKeyUCWYRBJXTHJRHQ-UHFFFAOYSA-N
XLogP3.95
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.95
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'}

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Related Compounds

2-(4-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
CID 21368486
(2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide
CID 92682200
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-nitrophenyl)butanamide
CID 133186860
(2R)-2-(4-ethylphenoxy)-N-(3-methoxyphenyl)butanamide
CID 99132919
(2R)-2-ethoxy-N-(3-nitrophenyl)butanamide
CID 94183984
(2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
CID 9172432
(2R)-2-naphthalen-1-yloxy-N-(3-nitrophenyl)butanamide
CID 92684735
(2S)-2-(2,3-dimethylphenoxy)-N-(3-nitrophenyl)butanamide
CID 99958785
2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide
CID 17150578
(2S)-N-(4-ethylphenyl)-2-(3-nitrophenoxy)propanamide
CID 7864960
2-(4-ethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]butanamide
CID 132659215
N-(4-ethylphenyl)-2-(4-methylphenoxy)butanamide
CID 53286287

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(3-nitrophenyl)butanamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(3-nitrophenyl)butanamide (CID 132651293) is 2-(4-ethylphenoxy)-N-(3-nitrophenyl)butanamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(3-nitrophenyl)butanamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(3-nitrophenyl)butanamide is CCc1ccc(OC(CC)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(3-nitrophenyl)butanamide?
The InChIKey is UCWYRBJXTHJRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-3-13-8-10-16(11-9-13)24-17(4-2)18(21)19-14-6-5-7-15(12-14)20(22)23/h5-12,17H,3-4H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-ethylphenoxy)-N-(3-nitrophenyl)butanamide?
2-(4-ethylphenoxy)-N-(3-nitrophenyl)butanamide has a molecular weight of 328.37 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(3-nitrophenyl)butanamide is sourced from PubChem (CID 132651293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).