N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide

C20H24N2O3 — CID 6906719

IUPACN-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1OC
InChIInChI=1S/C20H24N2O3/c1-20(2,3)16-9-6-14(7-10-16)13-21-22-19(23)15-8-11-17(24-4)18(12-15)25-5/h6-13H,1-5H3,(H,22,23)/b21-13+
InChIKeyGWRZJKZKPGAAFK-FYJGNVAPSA-N
MW340.42 g/mol
LogP3.77
Rot. Bonds5

About N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide

N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide (PubChem CID 6906719) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide
PubChem CID6906719
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1OC
InChIInChI=1S/C20H24N2O3/c1-20(2,3)16-9-6-14(7-10-16)13-21-22-19(23)15-8-11-17(24-4)18(12-15)25-5/h6-13H,1-5H3,(H,22,23)/b21-13+
InChIKeyGWRZJKZKPGAAFK-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-tert-butyl-N-[(4-methoxy-3-methylphenyl)methylideneamino]benzamide
CID 4980428
N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 46804116
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
3,4-dimethoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 5335848
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-3,5-dimethoxybenzamide
CID 9461147
N-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 2330939
4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 7414381
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 679105
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5064739
3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 6910508
N-[(Z)-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 110514701

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide (CID 6906719) is N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1OC.
What is the InChIKey of N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide?
The InChIKey is GWRZJKZKPGAAFK-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2,3)16-9-6-14(7-10-16)13-21-22-19(23)15-8-11-17(24-4)18(12-15)25-5/h6-13H,1-5H3,(H,22,23)/b21-13+.
What are the key properties of N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide?
N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide 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 N-[(E)-(4-tert-butylphenyl)methylideneamino]-3,4-dimethoxybenzamide is sourced from PubChem (CID 6906719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).