ethyl (4Z)-2-hydroxy-4-phenyl-4-phenylmethoxycarbonyliminobutanoate

C20H21NO5 — CID 58839402

IUPACethyl (4Z)-2-hydroxy-4-phenyl-4-phenylmethoxycarbonyliminobutanoate
SMILESCCOC(=O)C(O)C/C(=N/C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NO5/c1-2-25-19(23)18(22)13-17(16-11-7-4-8-12-16)21-20(24)26-14-15-9-5-3-6-10-15/h3-12,18,22H,2,13-14H2,1H3/b21-17-
InChIKeySHEWFJBBVZIGOH-FXBPSFAMSA-N
MW355.39 g/mol
LogP3.13
Rot. Bonds7

About ethyl (4Z)-2-hydroxy-4-phenyl-4-phenylmethoxycarbonyliminobutanoate

ethyl (4Z)-2-hydroxy-4-phenyl-4-phenylmethoxycarbonyliminobutanoate (PubChem CID 58839402) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is ethyl (4Z)-2-hydroxy-4-phenyl-4-phenylmethoxycarbonyliminobutanoate.

Molecular Properties

Compound Nameethyl (4Z)-2-hydroxy-4-phenyl-4-phenylmethoxycarbonyliminobutanoate
PubChem CID58839402
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Nameethyl (4Z)-2-hydroxy-4-phenyl-4-phenylmethoxycarbonyliminobutanoate
SMILESCCOC(=O)C(O)C/C(=N/C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NO5/c1-2-25-19(23)18(22)13-17(16-11-7-4-8-12-16)21-20(24)26-14-15-9-5-3-6-10-15/h3-12,18,22H,2,13-14H2,1H3/b21-17-
InChIKeySHEWFJBBVZIGOH-FXBPSFAMSA-N
XLogP3.13
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl (4Z)-2-hydroxy-4-phenyl-4-phenylmethoxycarbonyliminobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2S,4Z)-4-(4-chlorophenyl)-2-hydroxy-4-phenylmethoxycarbonyliminobutanoate
CID 135055215
4-O-benzyl 1-O-ethyl (2S)-2-hydroxybutanedioate
CID 102323442
[(E)-(4-ethoxy-3-hydroxy-4-oxo-1-phenylbutylidene)amino]carbamic acid
CID 174204052
benzyl (2S,4Z)-2-(dodecanoylamino)-4-phenyl-4-phenylmethoxycarbonyliminobutanoate
CID 135054545
benzyl N-(3-oxo-1-phenylpropylidene)carbamate
CID 90784447
benzyl (NZ)-N-[(3R)-3-hydroxy-3-methyl-4-oxo-1-phenylpentylidene]carbamate
CID 177423716
benzyl (E)-N-phenylmethoxycarbonylbenzenecarboximidate
CID 10472737
ethyl (2S,3R,4Z)-4-(4-chlorophenyl)-2-hydroxy-3-methyl-4-phenylmethoxycarbonyliminobutanoate
CID 135054702
ethyl (2R)-2-hydroxy-4-phenylpent-4-enoate
CID 11020407
(3S,4S)-3-ethoxycarbonyl-4-phenylmethoxycarbonylhexanedioic acid
CID 130401923
ethyl (4E)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]-4-phenylbutanoate
CID 175490254
3-hydroxy-4-oxo-4-phenylmethoxybutanoic acid
CID 14585849

Frequently Asked Questions

What is the IUPAC name of ethyl (4Z)-2-hydroxy-4-phenyl-4-phenylmethoxycarbonyliminobutanoate?
The IUPAC name of ethyl (4Z)-2-hydroxy-4-phenyl-4-phenylmethoxycarbonyliminobutanoate (CID 58839402) is ethyl (4Z)-2-hydroxy-4-phenyl-4-phenylmethoxycarbonyliminobutanoate.
What is the SMILES notation for ethyl (4Z)-2-hydroxy-4-phenyl-4-phenylmethoxycarbonyliminobutanoate?
The canonical SMILES for ethyl (4Z)-2-hydroxy-4-phenyl-4-phenylmethoxycarbonyliminobutanoate is CCOC(=O)C(O)C/C(=N/C(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (4Z)-2-hydroxy-4-phenyl-4-phenylmethoxycarbonyliminobutanoate?
The InChIKey is SHEWFJBBVZIGOH-FXBPSFAMSA-N. The full InChI is InChI=1S/C20H21NO5/c1-2-25-19(23)18(22)13-17(16-11-7-4-8-12-16)21-20(24)26-14-15-9-5-3-6-10-15/h3-12,18,22H,2,13-14H2,1H3/b21-17-.
What are the key properties of ethyl (4Z)-2-hydroxy-4-phenyl-4-phenylmethoxycarbonyliminobutanoate?
ethyl (4Z)-2-hydroxy-4-phenyl-4-phenylmethoxycarbonyliminobutanoate has a molecular weight of 355.39 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4Z)-2-hydroxy-4-phenyl-4-phenylmethoxycarbonyliminobutanoate is sourced from PubChem (CID 58839402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).