2-(2-tert-butylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

C18H21N3O2 — CID 19190191

IUPAC2-(2-tert-butylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)N/N=C/c1cccnc1
InChIInChI=1S/C18H21N3O2/c1-18(2,3)15-8-4-5-9-16(15)23-13-17(22)21-20-12-14-7-6-10-19-11-14/h4-12H,13H2,1-3H3,(H,21,22)/b20-12+
InChIKeyMBHLPYVJUFSNNQ-UDWIEESQSA-N
MW311.38 g/mol
LogP2.91
Rot. Bonds5

About 2-(2-tert-butylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

2-(2-tert-butylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (PubChem CID 19190191) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
PubChem CID19190191
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-(2-tert-butylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESCC(C)(C)c1ccccc1OCC(=O)N/N=C/c1cccnc1
InChIInChI=1S/C18H21N3O2/c1-18(2,3)15-8-4-5-9-16(15)23-13-17(22)21-20-12-14-7-6-10-19-11-14/h4-12H,13H2,1-3H3,(H,21,22)/b20-12+
InChIKeyMBHLPYVJUFSNNQ-UDWIEESQSA-N
XLogP2.91
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6863841
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-tert-butylphenoxy)acetamide
CID 7334233
2-(2-cyanophenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 7032347
2-(2-prop-2-enylphenoxy)-N-(pyridin-3-ylmethylideneamino)acetamide
CID 935509
2-(2-tert-butylphenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 19165090
2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
CID 19189587
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
2-(3-methoxyphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 19208665
2-(2-methoxyanilino)-N-(pyridin-3-ylmethylideneamino)acetamide
CID 717684
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-(2-tert-butylphenoxy)acetamide
CID 19165092
2-[2-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 10668794

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (CID 19190191) is 2-(2-tert-butylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1cccnc1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The InChIKey is MBHLPYVJUFSNNQ-UDWIEESQSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-18(2,3)15-8-4-5-9-16(15)23-13-17(22)21-20-12-14-7-6-10-19-11-14/h4-12H,13H2,1-3H3,(H,21,22)/b20-12+.
What are the key properties of 2-(2-tert-butylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
2-(2-tert-butylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide has a molecular weight of 311.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 19190191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).