4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide

C20H24N2O3 — CID 6868928

IUPAC4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1OC
InChIInChI=1S/C20H24N2O3/c1-20(2,3)16-11-9-14(10-12-16)19(23)22-21-13-15-7-6-8-17(24-4)18(15)25-5/h6-13H,1-5H3,(H,22,23)/b21-13+
InChIKeyGWFFVUAZINXLCI-FYJGNVAPSA-N
MW340.42 g/mol
LogP3.77
Rot. Bonds5

About 4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide

4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide (PubChem CID 6868928) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
PubChem CID6868928
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1OC
InChIInChI=1S/C20H24N2O3/c1-20(2,3)16-11-9-14(10-12-16)19(23)22-21-13-15-7-6-8-17(24-4)18(15)25-5/h6-13H,1-5H3,(H,22,23)/b21-13+
InChIKeyGWFFVUAZINXLCI-FYJGNVAPSA-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

4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5425927
2-(4-tert-butylphenoxy)-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 5450742
N-[(2,3-dimethoxyphenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 4981059
3-bromo-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5334858
chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 139060030
4-[(4-benzylpiperazin-1-yl)methyl]-N-[(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 3750438
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-4-[(2-phenylphenoxy)methyl]benzamide
CID 6904277
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide
CID 9231738
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-fluorothiophene-2-carboxamide
CID 155881783
(2S)-2-[2-methoxy-6-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 126249537
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 6907928
4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5416523

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide (CID 6868928) is 4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide is COc1cccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1OC.
What is the InChIKey of 4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is GWFFVUAZINXLCI-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2,3)16-11-9-14(10-12-16)19(23)22-21-13-15-7-6-8-17(24-4)18(15)25-5/h6-13H,1-5H3,(H,22,23)/b21-13+.
What are the key properties of 4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide?
4-tert-butyl-N-[(E)-(2,3-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-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6868928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).