2-(2-tert-butylphenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide

C19H21N3O4 — CID 19165090

IUPAC2-(2-tert-butylphenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)NN=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H21N3O4/c1-19(2,3)16-6-4-5-7-17(16)26-13-18(23)21-20-12-14-8-10-15(11-9-14)22(24)25/h4-12H,13H2,1-3H3,(H,21,23)
InChIKeyRYFNJZFRCKVEIL-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.42
Rot. Bonds6

About 2-(2-tert-butylphenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide

2-(2-tert-butylphenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide (PubChem CID 19165090) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
PubChem CID19165090
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-(2-tert-butylphenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)NN=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H21N3O4/c1-19(2,3)16-6-4-5-7-17(16)26-13-18(23)21-20-12-14-8-10-15(11-9-14)22(24)25/h4-12H,13H2,1-3H3,(H,21,23)
InChIKeyRYFNJZFRCKVEIL-UHFFFAOYSA-N
XLogP3.42
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-tert-butylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
CID 19189602
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
CID 7334233
2-(2-tert-butylphenoxy)-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 135726553
2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
2-(2-tert-butylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 19190191
2-(4-bromo-2-tert-butylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 19189609
2-(1-bromonaphthalen-2-yl)oxy-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 4633369
2-(2-tert-butylphenoxy)-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135726412
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
CID 19165700
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 6002004
2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
CID 19189587
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-(2-tert-butylphenoxy)acetamide
CID 19165092

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide (CID 19165090) is 2-(2-tert-butylphenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide is CC(C)(C)c1ccccc1OCC(=O)NN=Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide?
The InChIKey is RYFNJZFRCKVEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-19(2,3)16-6-4-5-7-17(16)26-13-18(23)21-20-12-14-8-10-15(11-9-14)22(24)25/h4-12H,13H2,1-3H3,(H,21,23).
What are the key properties of 2-(2-tert-butylphenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide?
2-(2-tert-butylphenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide has a molecular weight of 355.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 19165090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).