2-(2-butan-2-ylphenoxy)-N-(4-nitrophenyl)butanamide

C20H24N2O4 — CID 17150622

IUPAC2-(2-butan-2-ylphenoxy)-N-(4-nitrophenyl)butanamide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H24N2O4/c1-4-14(3)17-8-6-7-9-19(17)26-18(5-2)20(23)21-15-10-12-16(13-11-15)22(24)25/h6-14,18H,4-5H2,1-3H3,(H,21,23)
InChIKeyWLZDYEQYQFYUIV-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.90
Rot. Bonds8

About 2-(2-butan-2-ylphenoxy)-N-(4-nitrophenyl)butanamide

2-(2-butan-2-ylphenoxy)-N-(4-nitrophenyl)butanamide (PubChem CID 17150622) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-(4-nitrophenyl)butanamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-(4-nitrophenyl)butanamide
PubChem CID17150622
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-(2-butan-2-ylphenoxy)-N-(4-nitrophenyl)butanamide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H24N2O4/c1-4-14(3)17-8-6-7-9-19(17)26-18(5-2)20(23)21-15-10-12-16(13-11-15)22(24)25/h6-14,18H,4-5H2,1-3H3,(H,21,23)
InChIKeyWLZDYEQYQFYUIV-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'}

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Related Compounds

2-(2-butan-2-ylphenoxy)-N-(3-nitrophenyl)butanamide
CID 17150578
N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide
CID 46735880
4-[2-(2-butan-2-ylphenoxy)butanoylamino]benzoic acid
CID 54855905
2-(2-butan-2-ylphenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 43915072
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 17150580
4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide
CID 17199601
2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide
CID 17150650
2-(2-butan-2-ylphenoxy)-N-phenylpropanamide
CID 17129825
2-(2-butan-2-ylphenoxy)-N-[4-[4-[2-(2-butan-2-ylphenoxy)butanoylamino]-3-methylphenyl]-2-methylphenyl]butanamide
CID 23013474
2-(2-butan-2-ylphenoxy)-N-(3-propoxyphenyl)butanamide
CID 17150722
(2S)-2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-chloro-3-nitrophenyl)propanamide
CID 41251835
(2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
CID 9172432

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(4-nitrophenyl)butanamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(4-nitrophenyl)butanamide (CID 17150622) is 2-(2-butan-2-ylphenoxy)-N-(4-nitrophenyl)butanamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-(4-nitrophenyl)butanamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-(4-nitrophenyl)butanamide is CCC(Oc1ccccc1C(C)CC)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-(4-nitrophenyl)butanamide?
The InChIKey is WLZDYEQYQFYUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-4-14(3)17-8-6-7-9-19(17)26-18(5-2)20(23)21-15-10-12-16(13-11-15)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-(4-nitrophenyl)butanamide?
2-(2-butan-2-ylphenoxy)-N-(4-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-(4-nitrophenyl)butanamide is sourced from PubChem (CID 17150622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).