ethyl 2-[[methoxy(phenyl)methylidene]amino]-2-methylpropanoate

C14H19NO3 — CID 101035692

IUPACethyl 2-[[methoxy(phenyl)methylidene]amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)/N=C(\OC)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-5-18-13(16)14(2,3)15-12(17-4)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3/b15-12-
InChIKeyXKZFIAVJINXFQQ-QINSGFPZSA-N
MW249.31 g/mol
LogP2.42
Rot. Bonds4

About ethyl 2-[[methoxy(phenyl)methylidene]amino]-2-methylpropanoate

ethyl 2-[[methoxy(phenyl)methylidene]amino]-2-methylpropanoate (PubChem CID 101035692) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 2-[[methoxy(phenyl)methylidene]amino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[[methoxy(phenyl)methylidene]amino]-2-methylpropanoate
PubChem CID101035692
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl 2-[[methoxy(phenyl)methylidene]amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)/N=C(\OC)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-5-18-13(16)14(2,3)15-12(17-4)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3/b15-12-
InChIKeyXKZFIAVJINXFQQ-QINSGFPZSA-N
XLogP2.42
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(benzhydrylideneamino)-2-methylpentanoate
CID 178012023
ethyl (2S)-2-bromo-2-methyl-3-oxo-3-phenylpropanoate
CID 101364316
ethyl (2S)-2-hydroxy-2-methyl-3-oxo-3-phenylpropanoate
CID 131869499
ethyl 2,2-dimethoxy-3-oxo-3-phenylpropanoate
CID 15048899
ethyl 2,2,3-trimethyl-4-oxo-4-phenylbutanoate
CID 101353023
ethyl 2-fluoro-2-methyl-4-oxo-4-phenylbutanoate
CID 175710484
5-O-ethyl 1-O-methyl (E)-2-(benzhydrylideneamino)-4,4-dimethylpent-2-enedioate
CID 177399381
methyl 2,2-dimethyl-4-oxo-4-phenylbutanoate
CID 18948507
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
methyl N-acetylbenzenecarboximidate
CID 13028603
methyl N-methoxycarbonylbenzenecarboximidate
CID 86114469
ethyl N-ethynylbenzenecarboximidate
CID 134869997

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[methoxy(phenyl)methylidene]amino]-2-methylpropanoate?
The IUPAC name of ethyl 2-[[methoxy(phenyl)methylidene]amino]-2-methylpropanoate (CID 101035692) is ethyl 2-[[methoxy(phenyl)methylidene]amino]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[[methoxy(phenyl)methylidene]amino]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[[methoxy(phenyl)methylidene]amino]-2-methylpropanoate is CCOC(=O)C(C)(C)/N=C(\OC)c1ccccc1.
What is the InChIKey of ethyl 2-[[methoxy(phenyl)methylidene]amino]-2-methylpropanoate?
The InChIKey is XKZFIAVJINXFQQ-QINSGFPZSA-N. The full InChI is InChI=1S/C14H19NO3/c1-5-18-13(16)14(2,3)15-12(17-4)11-9-7-6-8-10-11/h6-10H,5H2,1-4H3/b15-12-.
What are the key properties of ethyl 2-[[methoxy(phenyl)methylidene]amino]-2-methylpropanoate?
ethyl 2-[[methoxy(phenyl)methylidene]amino]-2-methylpropanoate has a molecular weight of 249.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[methoxy(phenyl)methylidene]amino]-2-methylpropanoate is sourced from PubChem (CID 101035692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).