4-ethoxy-N-(3-methylbutan-2-ylideneamino)benzamide

C14H20N2O2 — CID 4315276

IUPAC4-ethoxy-N-(3-methylbutan-2-ylideneamino)benzamide
SMILESCCOc1ccc(C(=O)NN=C(C)C(C)C)cc1
InChIInChI=1S/C14H20N2O2/c1-5-18-13-8-6-12(7-9-13)14(17)16-15-11(4)10(2)3/h6-10H,5H2,1-4H3,(H,16,17)
InChIKeyANWBNWPJXSUVGB-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.85
Rot. Bonds5

About 4-ethoxy-N-(3-methylbutan-2-ylideneamino)benzamide

4-ethoxy-N-(3-methylbutan-2-ylideneamino)benzamide (PubChem CID 4315276) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-ethoxy-N-(3-methylbutan-2-ylideneamino)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(3-methylbutan-2-ylideneamino)benzamide
PubChem CID4315276
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-ethoxy-N-(3-methylbutan-2-ylideneamino)benzamide
SMILESCCOc1ccc(C(=O)NN=C(C)C(C)C)cc1
InChIInChI=1S/C14H20N2O2/c1-5-18-13-8-6-12(7-9-13)14(17)16-15-11(4)10(2)3/h6-10H,5H2,1-4H3,(H,16,17)
InChIKeyANWBNWPJXSUVGB-UHFFFAOYSA-N
XLogP2.85
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.85
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-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
4-fluoro-N-(3-methylbutan-2-ylideneamino)benzamide
CID 4131322
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9214754
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
CID 6180657
4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide
CID 3656124
N-[(Z)-1-[4-(difluoromethoxy)-3-methoxyphenyl]ethylideneamino]-4-ethoxybenzamide
CID 9214852
4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3516509
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-ethoxybenzamide
CID 3420877
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
CID 9461201
4-[(4-chlorophenoxy)methyl]-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide
CID 9408975

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(3-methylbutan-2-ylideneamino)benzamide?
The IUPAC name of 4-ethoxy-N-(3-methylbutan-2-ylideneamino)benzamide (CID 4315276) is 4-ethoxy-N-(3-methylbutan-2-ylideneamino)benzamide.
What is the SMILES notation for 4-ethoxy-N-(3-methylbutan-2-ylideneamino)benzamide?
The canonical SMILES for 4-ethoxy-N-(3-methylbutan-2-ylideneamino)benzamide is CCOc1ccc(C(=O)NN=C(C)C(C)C)cc1.
What is the InChIKey of 4-ethoxy-N-(3-methylbutan-2-ylideneamino)benzamide?
The InChIKey is ANWBNWPJXSUVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-18-13-8-6-12(7-9-13)14(17)16-15-11(4)10(2)3/h6-10H,5H2,1-4H3,(H,16,17).
What are the key properties of 4-ethoxy-N-(3-methylbutan-2-ylideneamino)benzamide?
4-ethoxy-N-(3-methylbutan-2-ylideneamino)benzamide has a molecular weight of 248.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3-methylbutan-2-ylideneamino)benzamide is sourced from PubChem (CID 4315276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).