ethyl (1E)-N-hydroxy-2-phenyl-2-(phenylmethoxycarbonylamino)ethanimidate

C18H20N2O4 — CID 101141605

IUPACethyl (1E)-N-hydroxy-2-phenyl-2-(phenylmethoxycarbonylamino)ethanimidate
SMILESCCO/C(=N/O)C(NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O4/c1-2-23-17(20-22)16(15-11-7-4-8-12-15)19-18(21)24-13-14-9-5-3-6-10-14/h3-12,16,22H,2,13H2,1H3,(H,19,21)/b20-17+
InChIKeyPEKGLSMTXLXVSI-LVZFUZTISA-N
MW328.37 g/mol
LogP3.48
Rot. Bonds6

About ethyl (1E)-N-hydroxy-2-phenyl-2-(phenylmethoxycarbonylamino)ethanimidate

ethyl (1E)-N-hydroxy-2-phenyl-2-(phenylmethoxycarbonylamino)ethanimidate (PubChem CID 101141605) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl (1E)-N-hydroxy-2-phenyl-2-(phenylmethoxycarbonylamino)ethanimidate.

Molecular Properties

Compound Nameethyl (1E)-N-hydroxy-2-phenyl-2-(phenylmethoxycarbonylamino)ethanimidate
PubChem CID101141605
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Nameethyl (1E)-N-hydroxy-2-phenyl-2-(phenylmethoxycarbonylamino)ethanimidate
SMILESCCO/C(=N/O)C(NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2O4/c1-2-23-17(20-22)16(15-11-7-4-8-12-15)19-18(21)24-13-14-9-5-3-6-10-14/h3-12,16,22H,2,13H2,1H3,(H,19,21)/b20-17+
InChIKeyPEKGLSMTXLXVSI-LVZFUZTISA-N
XLogP3.48
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl (1E)-N-hydroxy-2-phenyl-2-(phenylmethoxycarbonylamino)ethanimidate 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

(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
CID 819214
ethyl 2-[methyl-[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]acetate
CID 141172480
benzyl 2-[(ethoxycarbonylamino)-phenylmethyl]buta-2,3-dienoate
CID 74832949
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
benzyl N-[(1S)-2-hydroxyimino-2-(4-methoxyphenyl)-1-phenylethyl]carbamate
CID 86596338
benzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate
CID 97267837
ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 139832996
benzyl N-[2-(cyanomethylamino)-2-oxo-1-phenylethyl]carbamate
CID 73006787
ethyl 2-chloro-2-(phenylmethoxycarbonylamino)acetate
CID 14991414
benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate
CID 97267835
(2S)-2-iodo-2-(phenylmethoxycarbonylamino)acetic acid
CID 126547050
benzyl N-(1-phenylbutyl)carbamate
CID 101400436

Frequently Asked Questions

What is the IUPAC name of ethyl (1E)-N-hydroxy-2-phenyl-2-(phenylmethoxycarbonylamino)ethanimidate?
The IUPAC name of ethyl (1E)-N-hydroxy-2-phenyl-2-(phenylmethoxycarbonylamino)ethanimidate (CID 101141605) is ethyl (1E)-N-hydroxy-2-phenyl-2-(phenylmethoxycarbonylamino)ethanimidate.
What is the SMILES notation for ethyl (1E)-N-hydroxy-2-phenyl-2-(phenylmethoxycarbonylamino)ethanimidate?
The canonical SMILES for ethyl (1E)-N-hydroxy-2-phenyl-2-(phenylmethoxycarbonylamino)ethanimidate is CCO/C(=N/O)C(NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (1E)-N-hydroxy-2-phenyl-2-(phenylmethoxycarbonylamino)ethanimidate?
The InChIKey is PEKGLSMTXLXVSI-LVZFUZTISA-N. The full InChI is InChI=1S/C18H20N2O4/c1-2-23-17(20-22)16(15-11-7-4-8-12-15)19-18(21)24-13-14-9-5-3-6-10-14/h3-12,16,22H,2,13H2,1H3,(H,19,21)/b20-17+.
What are the key properties of ethyl (1E)-N-hydroxy-2-phenyl-2-(phenylmethoxycarbonylamino)ethanimidate?
ethyl (1E)-N-hydroxy-2-phenyl-2-(phenylmethoxycarbonylamino)ethanimidate has a molecular weight of 328.37 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1E)-N-hydroxy-2-phenyl-2-(phenylmethoxycarbonylamino)ethanimidate is sourced from PubChem (CID 101141605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).