4-ethoxy-N-oxaldehydoylbenzamide

C11H11NO4 — CID 23085538

IUPAC4-ethoxy-N-oxaldehydoylbenzamide
SMILESCCOc1ccc(C(=O)NC(=O)C=O)cc1
InChIInChI=1S/C11H11NO4/c1-2-16-9-5-3-8(4-6-9)11(15)12-10(14)7-13/h3-7H,2H2,1H3,(H,12,14,15)
InChIKeyNAFMGLCWCCPJOT-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.54
Rot. Bonds4

About 4-ethoxy-N-oxaldehydoylbenzamide

4-ethoxy-N-oxaldehydoylbenzamide (PubChem CID 23085538) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 4-ethoxy-N-oxaldehydoylbenzamide.

Molecular Properties

Compound Name4-ethoxy-N-oxaldehydoylbenzamide
PubChem CID23085538
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name4-ethoxy-N-oxaldehydoylbenzamide
SMILESCCOc1ccc(C(=O)NC(=O)C=O)cc1
InChIInChI=1S/C11H11NO4/c1-2-16-9-5-3-8(4-6-9)11(15)12-10(14)7-13/h3-7H,2H2,1H3,(H,12,14,15)
InChIKeyNAFMGLCWCCPJOT-UHFFFAOYSA-N
XLogP0.54
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(dipropylcarbamothioyl)-4-ethoxybenzamide
CID 4948995
N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-4-ethoxybenzamide
CID 4949262
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
methyl 2-[(4-ethoxybenzoyl)amino]-2-methylpropanoate
CID 31922197
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
N'-(4-ethoxybenzoyl)pyridine-4-carbohydrazide
CID 959949
4-ethoxy-N-(pyrrolidine-1-carbothioyl)benzamide
CID 4948914
4-ethoxy-N-(2-methoxyethylcarbamothioyl)benzamide
CID 2218771
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-ethoxybenzamide
CID 108540579
4-ethoxy-N-(pentylcarbamothioyl)benzamide
CID 18822939

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-oxaldehydoylbenzamide?
The IUPAC name of 4-ethoxy-N-oxaldehydoylbenzamide (CID 23085538) is 4-ethoxy-N-oxaldehydoylbenzamide.
What is the SMILES notation for 4-ethoxy-N-oxaldehydoylbenzamide?
The canonical SMILES for 4-ethoxy-N-oxaldehydoylbenzamide is CCOc1ccc(C(=O)NC(=O)C=O)cc1.
What is the InChIKey of 4-ethoxy-N-oxaldehydoylbenzamide?
The InChIKey is NAFMGLCWCCPJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-2-16-9-5-3-8(4-6-9)11(15)12-10(14)7-13/h3-7H,2H2,1H3,(H,12,14,15).
What are the key properties of 4-ethoxy-N-oxaldehydoylbenzamide?
4-ethoxy-N-oxaldehydoylbenzamide has a molecular weight of 221.21 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-oxaldehydoylbenzamide is sourced from PubChem (CID 23085538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).