N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide

C20H24N2O2 — CID 4132757

IUPACN-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NN=Cc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-5-24-18-12-8-16(9-13-18)19(23)22-21-14-15-6-10-17(11-7-15)20(2,3)4/h6-14H,5H2,1-4H3,(H,22,23)
InChIKeyMPBFQJZYGGZSCY-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.15
Rot. Bonds5

About N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide

N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide (PubChem CID 4132757) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
PubChem CID4132757
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NN=Cc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-5-24-18-12-8-16(9-13-18)19(23)22-21-14-15-6-10-17(11-7-15)20(2,3)4/h6-14H,5H2,1-4H3,(H,22,23)
InChIKeyMPBFQJZYGGZSCY-UHFFFAOYSA-N
XLogP4.15
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.15
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

1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
2-[4-[(Z)-[(4-tert-butylbenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 9466108
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 136671572
[4-[(E)-[(4-tert-butylbenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
CID 51061973
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 5418193
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135849467
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
[4-[(Z)-(benzoylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
CID 6241876
4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 923419

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide?
The IUPAC name of N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide (CID 4132757) is N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide is CCOc1ccc(C(=O)NN=Cc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide?
The InChIKey is MPBFQJZYGGZSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-5-24-18-12-8-16(9-13-18)19(23)22-21-14-15-6-10-17(11-7-15)20(2,3)4/h6-14H,5H2,1-4H3,(H,22,23).
What are the key properties of N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide?
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide has a molecular weight of 324.42 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide is sourced from PubChem (CID 4132757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).