1-(N-ethyl-4-formylanilino)propan-2-yl acetate

C14H19NO3 — CID 54221384

IUPAC1-(N-ethyl-4-formylanilino)propan-2-yl acetate
SMILESCCN(CC(C)OC(C)=O)c1ccc(C=O)cc1
InChIInChI=1S/C14H19NO3/c1-4-15(9-11(2)18-12(3)17)14-7-5-13(10-16)6-8-14/h5-8,10-11H,4,9H2,1-3H3
InChIKeyQCVCQQCFSJQTBN-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.28
Rot. Bonds6

About 1-(N-ethyl-4-formylanilino)propan-2-yl acetate

1-(N-ethyl-4-formylanilino)propan-2-yl acetate (PubChem CID 54221384) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(N-ethyl-4-formylanilino)propan-2-yl acetate.

Molecular Properties

Compound Name1-(N-ethyl-4-formylanilino)propan-2-yl acetate
PubChem CID54221384
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-(N-ethyl-4-formylanilino)propan-2-yl acetate
SMILESCCN(CC(C)OC(C)=O)c1ccc(C=O)cc1
InChIInChI=1S/C14H19NO3/c1-4-15(9-11(2)18-12(3)17)14-7-5-13(10-16)6-8-14/h5-8,10-11H,4,9H2,1-3H3
InChIKeyQCVCQQCFSJQTBN-UHFFFAOYSA-N
XLogP2.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(N-(4-formylphenyl)-4-methylanilino)phenyl]ethyl acetate
CID 89169486
ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate
CID 11709102
2-[4-formyl-N-(2-methylpropyl)anilino]acetamide
CID 55003104
4-[ethyl(2-ethylhexyl)amino]benzaldehyde
CID 87492667
4-(N-ethyl-4-formylanilino)butanoic acid
CID 22561269
[(E)-[4-(diethylamino)phenyl]methylideneamino] acetate
CID 87078724
dipropan-2-yl 2,4-bis[[4-(diethylamino)phenyl]methylidene]-3-oxopentanedioate
CID 139645615
2-(N-ethyl-4-formylanilino)propanoic acid
CID 54172194
4-[ethyl(4-hydroxybutyl)amino]benzaldehyde
CID 164863201
ethyl 2-(4-formyl-N-methylanilino)propanoate
CID 12038866
4-(dibutylamino)benzaldehyde
CID 605391
4-[1-(dimethylamino)propan-2-yl-ethylamino]benzaldehyde
CID 103189615

Frequently Asked Questions

What is the IUPAC name of 1-(N-ethyl-4-formylanilino)propan-2-yl acetate?
The IUPAC name of 1-(N-ethyl-4-formylanilino)propan-2-yl acetate (CID 54221384) is 1-(N-ethyl-4-formylanilino)propan-2-yl acetate.
What is the SMILES notation for 1-(N-ethyl-4-formylanilino)propan-2-yl acetate?
The canonical SMILES for 1-(N-ethyl-4-formylanilino)propan-2-yl acetate is CCN(CC(C)OC(C)=O)c1ccc(C=O)cc1.
What is the InChIKey of 1-(N-ethyl-4-formylanilino)propan-2-yl acetate?
The InChIKey is QCVCQQCFSJQTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-15(9-11(2)18-12(3)17)14-7-5-13(10-16)6-8-14/h5-8,10-11H,4,9H2,1-3H3.
What are the key properties of 1-(N-ethyl-4-formylanilino)propan-2-yl acetate?
1-(N-ethyl-4-formylanilino)propan-2-yl acetate has a molecular weight of 249.31 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-ethyl-4-formylanilino)propan-2-yl acetate is sourced from PubChem (CID 54221384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).