N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide

C23H30N2O3 — CID 136934925

IUPACN-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1
InChIInChI=1S/C23H30N2O3/c1-22(2,3)17-12-16(20(26)19(13-17)23(4,5)6)14-24-25-21(27)15-8-10-18(28-7)11-9-15/h8-14,26H,1-7H3,(H,25,27)/b24-14+
InChIKeyNJQQYNUQNUWIIV-ZVHZXABRSA-N
MW382.50 g/mol
LogP4.76
Rot. Bonds4

About N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide

N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide (PubChem CID 136934925) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
PubChem CID136934925
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1
InChIInChI=1S/C23H30N2O3/c1-22(2,3)17-12-16(20(26)19(13-17)23(4,5)6)14-24-25-21(27)15-8-10-18(28-7)11-9-15/h8-14,26H,1-7H3,(H,25,27)/b24-14+
InChIKeyNJQQYNUQNUWIIV-ZVHZXABRSA-N
XLogP4.76
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-tert-butyl-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135613078
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136778476
[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]urea
CID 135824495
N-[[3-[(E)-(benzoylhydrazinylidene)methyl]-2-hydroxy-5-methoxyphenyl]methylideneamino]benzamide
CID 135688473
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 7414381
N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 1369435
ethyl N-[(Z)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]carbamate
CID 136749406
N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-4-(trifluoromethyl)benzamide
CID 137072479
N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5065376
N-[(Z)-(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136914771
N-[(E)-(3-bromo-2-hydroxy-5-methoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 135478077

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide (CID 136934925) is N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)N/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1.
What is the InChIKey of N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide?
The InChIKey is NJQQYNUQNUWIIV-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-22(2,3)17-12-16(20(26)19(13-17)23(4,5)6)14-24-25-21(27)15-8-10-18(28-7)11-9-15/h8-14,26H,1-7H3,(H,25,27)/b24-14+.
What are the key properties of N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide?
N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide has a molecular weight of 382.50 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 136934925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).