2-(4-tert-butyl-2-methylphenoxy)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide

C20H26N2O3 — CID 46501340

IUPAC2-(4-tert-butyl-2-methylphenoxy)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1C)c1ccc(C)o1
InChIInChI=1S/C20H26N2O3/c1-13-11-16(20(4,5)6)8-10-17(13)24-12-19(23)22-21-15(3)18-9-7-14(2)25-18/h7-11H,12H2,1-6H3,(H,22,23)/b21-15+
InChIKeyUQNUHQPSWVFZQT-RCCKNPSSSA-N
MW342.44 g/mol
LogP4.11
Rot. Bonds5

About 2-(4-tert-butyl-2-methylphenoxy)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide

2-(4-tert-butyl-2-methylphenoxy)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide (PubChem CID 46501340) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-methylphenoxy)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-tert-butyl-2-methylphenoxy)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide
PubChem CID46501340
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-(4-tert-butyl-2-methylphenoxy)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1C)c1ccc(C)o1
InChIInChI=1S/C20H26N2O3/c1-13-11-16(20(4,5)6)8-10-17(13)24-12-19(23)22-21-15(3)18-9-7-14(2)25-18/h7-11H,12H2,1-6H3,(H,22,23)/b21-15+
InChIKeyUQNUHQPSWVFZQT-RCCKNPSSSA-N
XLogP4.11
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.11
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-(4-tert-butyl-2-methylphenoxy)-N-[2-[[2-(4-tert-butyl-2-methylphenoxy)acetyl]amino]ethyl]acetamide
CID 5014874
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-2-(4-tert-butylphenoxy)acetamide
CID 6262544
2-(4-tert-butyl-2-methylphenoxy)-N-[(4-methoxyphenyl)methylideneamino]acetamide
CID 1105092
2-(4-bromo-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 3424062
2-(4-tert-butyl-2-methylphenoxy)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 5441416
2-(4-chloro-2-methylphenoxy)-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 909508
2-(4-tert-butyl-2-methylphenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135533037
2-(4-tert-butyl-2-methylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 43416535
2-(4-bromophenyl)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide
CID 19061478
4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide
CID 3656124
2-(4-tert-butyl-2-methylphenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 1105085
2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide
CID 4945068

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-tert-butyl-2-methylphenoxy)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide (CID 46501340) is 2-(4-tert-butyl-2-methylphenoxy)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-tert-butyl-2-methylphenoxy)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-tert-butyl-2-methylphenoxy)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide is C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1C)c1ccc(C)o1.
What is the InChIKey of 2-(4-tert-butyl-2-methylphenoxy)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide?
The InChIKey is UQNUHQPSWVFZQT-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13-11-16(20(4,5)6)8-10-17(13)24-12-19(23)22-21-15(3)18-9-7-14(2)25-18/h7-11H,12H2,1-6H3,(H,22,23)/b21-15+.
What are the key properties of 2-(4-tert-butyl-2-methylphenoxy)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide?
2-(4-tert-butyl-2-methylphenoxy)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide has a molecular weight of 342.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-methylphenoxy)-N-[(E)-1-(5-methylfuran-2-yl)ethylideneamino]acetamide is sourced from PubChem (CID 46501340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).