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

C17H18N2O5 — CID 21368486

IUPAC2-(4-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
SMILESCCC(Oc1ccc(OC)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O5/c1-3-16(24-15-9-7-14(23-2)8-10-15)17(20)18-12-5-4-6-13(11-12)19(21)22/h4-11,16H,3H2,1-2H3,(H,18,20)
InChIKeyVLIIZIDBZGBALP-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.40
Rot. Bonds7

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

2-(4-methoxyphenoxy)-N-(3-nitrophenyl)butanamide (PubChem CID 21368486) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(3-nitrophenyl)butanamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
PubChem CID21368486
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name2-(4-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
SMILESCCC(Oc1ccc(OC)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H18N2O5/c1-3-16(24-15-9-7-14(23-2)8-10-15)17(20)18-12-5-4-6-13(11-12)19(21)22/h4-11,16H,3H2,1-2H3,(H,18,20)
InChIKeyVLIIZIDBZGBALP-UHFFFAOYSA-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

2-(4-ethylphenoxy)-N-(3-nitrophenyl)butanamide
CID 132651293
(2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide
CID 92682200
(2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
CID 9172432
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-nitrophenyl)butanamide
CID 133186860
(2R)-2-naphthalen-1-yloxy-N-(3-nitrophenyl)butanamide
CID 92684735
(2R)-2-ethoxy-N-(3-nitrophenyl)butanamide
CID 94183984
(2S)-2-(2,3-dimethylphenoxy)-N-(3-nitrophenyl)butanamide
CID 99958785
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473
2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide
CID 17150578
(2R)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 38010628
(2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide
CID 30377777
(2R)-2-(4-ethylphenoxy)-N-(3-methoxyphenyl)butanamide
CID 99132919

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(3-nitrophenyl)butanamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(3-nitrophenyl)butanamide (CID 21368486) is 2-(4-methoxyphenoxy)-N-(3-nitrophenyl)butanamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(3-nitrophenyl)butanamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(3-nitrophenyl)butanamide is CCC(Oc1ccc(OC)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(3-nitrophenyl)butanamide?
The InChIKey is VLIIZIDBZGBALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-3-16(24-15-9-7-14(23-2)8-10-15)17(20)18-12-5-4-6-13(11-12)19(21)22/h4-11,16H,3H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-methoxyphenoxy)-N-(3-nitrophenyl)butanamide?
2-(4-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 2-(4-methoxyphenoxy)-N-(3-nitrophenyl)butanamide is sourced from PubChem (CID 21368486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).