N-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide

C19H22N2O5 — CID 35965088

IUPACN-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccccc2C(C)(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C19H22N2O5/c1-19(2,3)14-7-5-6-8-15(14)20-18(22)12-26-17-10-9-13(25-4)11-16(17)21(23)24/h5-11H,12H2,1-4H3,(H,20,22)
InChIKeyGENCLOVBXFYCBR-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.92
Rot. Bonds6

About N-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide

N-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide (PubChem CID 35965088) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
PubChem CID35965088
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2ccccc2C(C)(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C19H22N2O5/c1-19(2,3)14-7-5-6-8-15(14)20-18(22)12-26-17-10-9-13(25-4)11-16(17)21(23)24/h5-11H,12H2,1-4H3,(H,20,22)
InChIKeyGENCLOVBXFYCBR-UHFFFAOYSA-N
XLogP3.92
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.92
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-(2-acetamidophenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7867384
N-ethyl-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 35965140
N-(2,4-dichlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 78765457
N-(2,6-difluorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473647
N-(3-chlorophenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473683
2-(4-chloro-2-nitrophenoxy)-N-(2,4-dimethoxyphenyl)acetamide
CID 31728423
N-[(2-chlorophenyl)methyl]-2-(4-methoxy-2-nitrophenoxy)acetamide
CID 7473645
2-(1-bromonaphthalen-2-yl)oxy-N-(4-methoxy-2-nitrophenyl)acetamide
CID 2960961
2-(4-methoxy-2-nitrophenoxy)-N-(1-phenylethyl)acetamide
CID 18076412
2-(2-tert-butylphenoxy)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19173234
N-(2-tert-butylphenyl)-2-(2,4-dimethoxyanilino)acetamide
CID 30567589
2-(4-tert-butylphenoxy)-N-(2-nitrophenyl)acetamide
CID 2787302

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide (CID 35965088) is N-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide is COc1ccc(OCC(=O)Nc2ccccc2C(C)(C)C)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide?
The InChIKey is GENCLOVBXFYCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-19(2,3)14-7-5-6-8-15(14)20-18(22)12-26-17-10-9-13(25-4)11-16(17)21(23)24/h5-11H,12H2,1-4H3,(H,20,22).
What are the key properties of N-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide?
N-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide has a molecular weight of 358.39 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(4-methoxy-2-nitrophenoxy)acetamide is sourced from PubChem (CID 35965088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).