2-phenylethyl (1E)-N-hydroxy-2-(phenylmethoxycarbonylamino)ethanimidate

C18H20N2O4 — CID 11110255

IUPAC2-phenylethyl (1E)-N-hydroxy-2-(phenylmethoxycarbonylamino)ethanimidate
SMILESO=C(NC/C(=N\O)OCCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H20N2O4/c21-18(24-14-16-9-5-2-6-10-16)19-13-17(20-22)23-12-11-15-7-3-1-4-8-15/h1-10,22H,11-14H2,(H,19,21)/b20-17+
InChIKeyORTPFNTVGPTSFH-LVZFUZTISA-N
MW328.37 g/mol
LogP2.96
Rot. Bonds7

About 2-phenylethyl (1E)-N-hydroxy-2-(phenylmethoxycarbonylamino)ethanimidate

2-phenylethyl (1E)-N-hydroxy-2-(phenylmethoxycarbonylamino)ethanimidate (PubChem CID 11110255) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-phenylethyl (1E)-N-hydroxy-2-(phenylmethoxycarbonylamino)ethanimidate.

Molecular Properties

Compound Name2-phenylethyl (1E)-N-hydroxy-2-(phenylmethoxycarbonylamino)ethanimidate
PubChem CID11110255
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-phenylethyl (1E)-N-hydroxy-2-(phenylmethoxycarbonylamino)ethanimidate
SMILESO=C(NC/C(=N\O)OCCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C18H20N2O4/c21-18(24-14-16-9-5-2-6-10-16)19-13-17(20-22)23-12-11-15-7-3-1-4-8-15/h1-10,22H,11-14H2,(H,19,21)/b20-17+
InChIKeyORTPFNTVGPTSFH-LVZFUZTISA-N
XLogP2.96
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.96
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'}

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Related Compounds

benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
benzyl N-(2-nitroso-2-oxoethyl)carbamate
CID 118370202
2-phenylethyl (1E)-2-amino-N-hydroxyethanimidate
CID 177483315
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-(2-aminoprop-2-enyl)carbamate
CID 146420722
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
benzyl N-(methoxycarbonylamino)carbamate
CID 71669783
benzyl N-(2-oxo-3-sulfanylpropyl)carbamate
CID 24832042
acetamide;2-(phenylmethoxycarbonylamino)acetic acid
CID 142382396

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl (1E)-N-hydroxy-2-(phenylmethoxycarbonylamino)ethanimidate?
The IUPAC name of 2-phenylethyl (1E)-N-hydroxy-2-(phenylmethoxycarbonylamino)ethanimidate (CID 11110255) is 2-phenylethyl (1E)-N-hydroxy-2-(phenylmethoxycarbonylamino)ethanimidate.
What is the SMILES notation for 2-phenylethyl (1E)-N-hydroxy-2-(phenylmethoxycarbonylamino)ethanimidate?
The canonical SMILES for 2-phenylethyl (1E)-N-hydroxy-2-(phenylmethoxycarbonylamino)ethanimidate is O=C(NC/C(=N\O)OCCc1ccccc1)OCc1ccccc1.
What is the InChIKey of 2-phenylethyl (1E)-N-hydroxy-2-(phenylmethoxycarbonylamino)ethanimidate?
The InChIKey is ORTPFNTVGPTSFH-LVZFUZTISA-N. The full InChI is InChI=1S/C18H20N2O4/c21-18(24-14-16-9-5-2-6-10-16)19-13-17(20-22)23-12-11-15-7-3-1-4-8-15/h1-10,22H,11-14H2,(H,19,21)/b20-17+.
What are the key properties of 2-phenylethyl (1E)-N-hydroxy-2-(phenylmethoxycarbonylamino)ethanimidate?
2-phenylethyl (1E)-N-hydroxy-2-(phenylmethoxycarbonylamino)ethanimidate has a molecular weight of 328.37 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl (1E)-N-hydroxy-2-(phenylmethoxycarbonylamino)ethanimidate is sourced from PubChem (CID 11110255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).