2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide

C20H24N2O4 — CID 17150578

IUPAC2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H24N2O4/c1-4-14(3)17-11-6-7-12-19(17)26-18(5-2)20(23)21-15-9-8-10-16(13-15)22(24)25/h6-14,18H,4-5H2,1-3H3,(H,21,23)
InChIKeyZFMKIGXLSATAFA-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.90
Rot. Bonds8

About 2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide

2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide (PubChem CID 17150578) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide
PubChem CID17150578
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H24N2O4/c1-4-14(3)17-11-6-7-12-19(17)26-18(5-2)20(23)21-15-9-8-10-16(13-15)22(24)25/h6-14,18H,4-5H2,1-3H3,(H,21,23)
InChIKeyZFMKIGXLSATAFA-UHFFFAOYSA-N
XLogP4.90
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.90
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 2-(2-butan-2-ylphenoxy)-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-(2-butan-2-ylphenoxy)-N-(4-nitrophenyl)butanamide
CID 17150622
(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-propoxyphenyl)butanamide
CID 17150722
(2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide
CID 92682200
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 17150580
(2R)-2-ethoxy-N-(3-nitrophenyl)butanamide
CID 94183984
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
CID 21368486
N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide
CID 46735880
2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide
CID 17222982
2-(4-ethylphenoxy)-N-(3-nitrophenyl)butanamide
CID 132651293

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide (CID 17150578) is 2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide is CCC(Oc1ccccc1C(C)CC)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide?
The InChIKey is ZFMKIGXLSATAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-4-14(3)17-11-6-7-12-19(17)26-18(5-2)20(23)21-15-9-8-10-16(13-15)22(24)25/h6-14,18H,4-5H2,1-3H3,(H,21,23).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide?
2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide has a molecular weight of 356.42 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide is sourced from PubChem (CID 17150578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).