ethyl 2-(4-formyl-N-methylanilino)propanoate

C13H17NO3 — CID 12038866

IUPACethyl 2-(4-formyl-N-methylanilino)propanoate
SMILESCCOC(=O)C(C)N(C)c1ccc(C=O)cc1
InChIInChI=1S/C13H17NO3/c1-4-17-13(16)10(2)14(3)12-7-5-11(9-15)6-8-12/h5-10H,4H2,1-3H3
InChIKeyBPUYAVNIRNHWLU-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.89
Rot. Bonds5

About ethyl 2-(4-formyl-N-methylanilino)propanoate

ethyl 2-(4-formyl-N-methylanilino)propanoate (PubChem CID 12038866) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is ethyl 2-(4-formyl-N-methylanilino)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-formyl-N-methylanilino)propanoate
PubChem CID12038866
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameethyl 2-(4-formyl-N-methylanilino)propanoate
SMILESCCOC(=O)C(C)N(C)c1ccc(C=O)cc1
InChIInChI=1S/C13H17NO3/c1-4-17-13(16)10(2)14(3)12-7-5-11(9-15)6-8-12/h5-10H,4H2,1-3H3
InChIKeyBPUYAVNIRNHWLU-UHFFFAOYSA-N
XLogP1.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.89
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

ethyl 2-(N-(2-ethoxy-2-oxoethyl)-4-formylanilino)acetate
CID 11709102
ethyl 4-(N-(4-ethoxycarbonylphenyl)-4-formylanilino)benzoate
CID 146802367
2-(N-ethyl-4-formylanilino)propanoic acid
CID 54172194
N-(4-formylphenyl)-N,2-dimethylpropanamide
CID 142058328
4-(4-ethoxy-N-methylanilino)benzaldehyde
CID 12657169
ethyl (E)-2-(diethylamino)-3-[4-(dimethylamino)phenyl]prop-2-enoate
CID 6054596
ethyl 3-[4-(N-(4-formylphenyl)anilino)phenyl]propanoate
CID 91744199
1-(N-ethyl-4-formylanilino)propan-2-yl acetate
CID 54221384
4-[1-(dimethylamino)propan-2-yl-ethylamino]benzaldehyde
CID 103189615
4-(1-ethoxyethenyl)benzaldehyde
CID 86025539
2-[4-formyl-N-(2-methylpropyl)anilino]acetamide
CID 55003104
1-[4-(N-(4-formylphenyl)-4-methylanilino)phenyl]ethyl acetate
CID 89169486

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-formyl-N-methylanilino)propanoate?
The IUPAC name of ethyl 2-(4-formyl-N-methylanilino)propanoate (CID 12038866) is ethyl 2-(4-formyl-N-methylanilino)propanoate.
What is the SMILES notation for ethyl 2-(4-formyl-N-methylanilino)propanoate?
The canonical SMILES for ethyl 2-(4-formyl-N-methylanilino)propanoate is CCOC(=O)C(C)N(C)c1ccc(C=O)cc1.
What is the InChIKey of ethyl 2-(4-formyl-N-methylanilino)propanoate?
The InChIKey is BPUYAVNIRNHWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-4-17-13(16)10(2)14(3)12-7-5-11(9-15)6-8-12/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 2-(4-formyl-N-methylanilino)propanoate?
ethyl 2-(4-formyl-N-methylanilino)propanoate has a molecular weight of 235.28 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-formyl-N-methylanilino)propanoate is sourced from PubChem (CID 12038866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).