4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide

C19H22N2O2 — CID 135445579

IUPAC4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1O
InChIInChI=1S/C19H22N2O2/c1-13(16-7-5-6-8-17(16)22)20-21-18(23)14-9-11-15(12-10-14)19(2,3)4/h5-12,22H,1-4H3,(H,21,23)/b20-13+
InChIKeyRPFYHXJJNNIMLF-DEDYPNTBSA-N
MW310.40 g/mol
LogP3.84
Rot. Bonds3

About 4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide

4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide (PubChem CID 135445579) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
PubChem CID135445579
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1O
InChIInChI=1S/C19H22N2O2/c1-13(16-7-5-6-8-17(16)22)20-21-18(23)14-9-11-15(12-10-14)19(2,3)4/h5-12,22H,1-4H3,(H,21,23)/b20-13+
InChIKeyRPFYHXJJNNIMLF-DEDYPNTBSA-N
XLogP3.84
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933
N-[1-(2-hydroxyphenyl)ethylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 4925144
2-N,5-N-bis[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-2,5-dicarboxamide
CID 135699182
2-(4-tert-butylphenoxy)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 921053
N-[1-(2-hydroxyphenyl)ethylideneamino]-3-methylbenzamide
CID 715799
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide
CID 6183873
N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933076
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-methoxybenzamide
CID 144899093
4-tert-butyl-N-[(E)-1-[6-[(E)-N-[(4-tert-butylbenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide
CID 15787905

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide (CID 135445579) is 4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide is C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1O.
What is the InChIKey of 4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide?
The InChIKey is RPFYHXJJNNIMLF-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13(16-7-5-6-8-17(16)22)20-21-18(23)14-9-11-15(12-10-14)19(2,3)4/h5-12,22H,1-4H3,(H,21,23)/b20-13+.
What are the key properties of 4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide?
4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide has a molecular weight of 310.40 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 135445579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).