2-(3,5-ditert-butyl-4-hydroxyphenoxy)-N-[2-(4-nitrophenyl)ethyl]acetamide

C24H32N2O5 — CID 18765723

IUPAC2-(3,5-ditert-butyl-4-hydroxyphenoxy)-N-[2-(4-nitrophenyl)ethyl]acetamide
SMILESCC(C)(C)c1cc(OCC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H32N2O5/c1-23(2,3)19-13-18(14-20(22(19)28)24(4,5)6)31-15-21(27)25-12-11-16-7-9-17(10-8-16)26(29)30/h7-10,13-14,28H,11-12,15H2,1-6H3,(H,25,27)
InChIKeyCRCDOVVIJNNGOQ-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.63
Rot. Bonds7

About 2-(3,5-ditert-butyl-4-hydroxyphenoxy)-N-[2-(4-nitrophenyl)ethyl]acetamide

2-(3,5-ditert-butyl-4-hydroxyphenoxy)-N-[2-(4-nitrophenyl)ethyl]acetamide (PubChem CID 18765723) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-(3,5-ditert-butyl-4-hydroxyphenoxy)-N-[2-(4-nitrophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-ditert-butyl-4-hydroxyphenoxy)-N-[2-(4-nitrophenyl)ethyl]acetamide
PubChem CID18765723
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC Name2-(3,5-ditert-butyl-4-hydroxyphenoxy)-N-[2-(4-nitrophenyl)ethyl]acetamide
SMILESCC(C)(C)c1cc(OCC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O
InChIInChI=1S/C24H32N2O5/c1-23(2,3)19-13-18(14-20(22(19)28)24(4,5)6)31-15-21(27)25-12-11-16-7-9-17(10-8-16)26(29)30/h7-10,13-14,28H,11-12,15H2,1-6H3,(H,25,27)
InChIKeyCRCDOVVIJNNGOQ-UHFFFAOYSA-N
XLogP4.63
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
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

N-[2-(4-nitrophenyl)ethyl]-2-phenoxyacetamide
CID 19166772
2-methoxy-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 47367990
N-[2-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]ethyl]-2-(3,5-ditert-butyl-4-hydroxyphenoxy)acetamide;hydroiodide
CID 18765732
2-chloro-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 22505904
N-(2-acetamidoethyl)-2-(4-nitrophenoxy)acetamide
CID 41161661
2-(methylamino)-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61219292
2-amino-N-[2-(4-nitrophenyl)ethyl]acetamide
CID 61218715
N-(3-hydroxypentyl)-2-(4-nitrophenoxy)acetamide
CID 115703818
N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(4-nitrophenoxy)acetohydrazide
CID 17356770
N-(3-hydroxypropyl)-2-(4-nitrophenoxy)acetamide
CID 43391408
N-[2-(4-nitrophenyl)ethyl]pentanamide
CID 110294427
N-[2-(4-nitrophenyl)ethyl]-4-phenoxybutanamide
CID 110294448

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-ditert-butyl-4-hydroxyphenoxy)-N-[2-(4-nitrophenyl)ethyl]acetamide?
The IUPAC name of 2-(3,5-ditert-butyl-4-hydroxyphenoxy)-N-[2-(4-nitrophenyl)ethyl]acetamide (CID 18765723) is 2-(3,5-ditert-butyl-4-hydroxyphenoxy)-N-[2-(4-nitrophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3,5-ditert-butyl-4-hydroxyphenoxy)-N-[2-(4-nitrophenyl)ethyl]acetamide?
The canonical SMILES for 2-(3,5-ditert-butyl-4-hydroxyphenoxy)-N-[2-(4-nitrophenyl)ethyl]acetamide is CC(C)(C)c1cc(OCC(=O)NCCc2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-(3,5-ditert-butyl-4-hydroxyphenoxy)-N-[2-(4-nitrophenyl)ethyl]acetamide?
The InChIKey is CRCDOVVIJNNGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-23(2,3)19-13-18(14-20(22(19)28)24(4,5)6)31-15-21(27)25-12-11-16-7-9-17(10-8-16)26(29)30/h7-10,13-14,28H,11-12,15H2,1-6H3,(H,25,27).
What are the key properties of 2-(3,5-ditert-butyl-4-hydroxyphenoxy)-N-[2-(4-nitrophenyl)ethyl]acetamide?
2-(3,5-ditert-butyl-4-hydroxyphenoxy)-N-[2-(4-nitrophenyl)ethyl]acetamide has a molecular weight of 428.53 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-ditert-butyl-4-hydroxyphenoxy)-N-[2-(4-nitrophenyl)ethyl]acetamide is sourced from PubChem (CID 18765723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).