4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide

C20H24N2O3 — CID 7414381

IUPAC4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)16-8-6-15(7-9-16)19(23)22-21-13-14-10-17(24-4)12-18(11-14)25-5/h6-13H,1-5H3,(H,22,23)/b21-13-
InChIKeyVEZFPILZFOJQQL-BKUYFWCQSA-N
MW340.42 g/mol
LogP3.77
Rot. Bonds5

About 4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide

4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide (PubChem CID 7414381) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide
PubChem CID7414381
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(/C=N\NC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1
InChIInChI=1S/C20H24N2O3/c1-20(2,3)16-8-6-15(7-9-16)19(23)22-21-13-14-10-17(24-4)12-18(11-14)25-5/h6-13H,1-5H3,(H,22,23)/b21-13-
InChIKeyVEZFPILZFOJQQL-BKUYFWCQSA-N
XLogP3.77
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.77
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

N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 9461147
N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 2641916
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215270
N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6906719
4-tert-butyl-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135613078
4-tert-butyl-N-[(4-methoxy-3-methylphenyl)methylideneamino]benzamide
CID 4980428
N-[(3,5-dimethoxyphenyl)methylideneamino]-2,1,3-benzoxadiazole-5-carboxamide
CID 6735610
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 134094114
N-[(3,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5065376
4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 679105
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide (CID 7414381) is 4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide is COc1cc(/C=N\NC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1.
What is the InChIKey of 4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is VEZFPILZFOJQQL-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2,3)16-8-6-15(7-9-16)19(23)22-21-13-14-10-17(24-4)12-18(11-14)25-5/h6-13H,1-5H3,(H,22,23)/b21-13-.
What are the key properties of 4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide?
4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide has a molecular weight of 340.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 7414381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).