4-tert-butyl-N-[(4-methoxy-3-methylphenyl)methylideneamino]benzamide

C20H24N2O2 — CID 4980428

IUPAC4-tert-butyl-N-[(4-methoxy-3-methylphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)cc1C
InChIInChI=1S/C20H24N2O2/c1-14-12-15(6-11-18(14)24-5)13-21-22-19(23)16-7-9-17(10-8-16)20(2,3)4/h6-13H,1-5H3,(H,22,23)
InChIKeyBWLMEACZNCRDNN-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.07
Rot. Bonds4

About 4-tert-butyl-N-[(4-methoxy-3-methylphenyl)methylideneamino]benzamide

4-tert-butyl-N-[(4-methoxy-3-methylphenyl)methylideneamino]benzamide (PubChem CID 4980428) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-tert-butyl-N-[(4-methoxy-3-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(4-methoxy-3-methylphenyl)methylideneamino]benzamide
PubChem CID4980428
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-tert-butyl-N-[(4-methoxy-3-methylphenyl)methylideneamino]benzamide
SMILESCOc1ccc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)cc1C
InChIInChI=1S/C20H24N2O2/c1-14-12-15(6-11-18(14)24-5)13-21-22-19(23)16-7-9-17(10-8-16)20(2,3)4/h6-13H,1-5H3,(H,22,23)
InChIKeyBWLMEACZNCRDNN-UHFFFAOYSA-N
XLogP4.07
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6906719
N-[(4-methoxy-3-methylphenyl)methylideneamino]-4-(pentanoylamino)benzamide
CID 4980442
4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 7414381
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylbenzamide
CID 910496
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 9461147
[4-[(E)-[(4-tert-butylbenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
CID 51061927
4-N-hydroxy-1-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 44507928
4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 679105
4-(2,2-dimethylpropanoylamino)-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 6019682
[4-[(E)-[(4-tert-butylbenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 4-propoxybenzoate
CID 51061998
N-[(Z)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 110514701
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5064739

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(4-methoxy-3-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-tert-butyl-N-[(4-methoxy-3-methylphenyl)methylideneamino]benzamide (CID 4980428) is 4-tert-butyl-N-[(4-methoxy-3-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(4-methoxy-3-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(4-methoxy-3-methylphenyl)methylideneamino]benzamide is COc1ccc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)cc1C.
What is the InChIKey of 4-tert-butyl-N-[(4-methoxy-3-methylphenyl)methylideneamino]benzamide?
The InChIKey is BWLMEACZNCRDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-12-15(6-11-18(14)24-5)13-21-22-19(23)16-7-9-17(10-8-16)20(2,3)4/h6-13H,1-5H3,(H,22,23).
What are the key properties of 4-tert-butyl-N-[(4-methoxy-3-methylphenyl)methylideneamino]benzamide?
4-tert-butyl-N-[(4-methoxy-3-methylphenyl)methylideneamino]benzamide has a molecular weight of 324.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(4-methoxy-3-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 4980428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).