ethyl (2Z)-2-hydroxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate

C13H18N2O3 — CID 25022566

IUPACethyl (2Z)-2-hydroxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate
SMILESCCOC(=O)/C(=N\O)c1ccccc1CCNC
InChIInChI=1S/C13H18N2O3/c1-3-18-13(16)12(15-17)11-7-5-4-6-10(11)8-9-14-2/h4-7,14,17H,3,8-9H2,1-2H3/b15-12-
InChIKeyMCSRKCATVHBCCD-QINSGFPZSA-N
MW250.30 g/mol
LogP1.19
Rot. Bonds6

About ethyl (2Z)-2-hydroxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate

ethyl (2Z)-2-hydroxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate (PubChem CID 25022566) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl (2Z)-2-hydroxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-hydroxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate
PubChem CID25022566
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl (2Z)-2-hydroxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate
SMILESCCOC(=O)/C(=N\O)c1ccccc1CCNC
InChIInChI=1S/C13H18N2O3/c1-3-18-13(16)12(15-17)11-7-5-4-6-10(11)8-9-14-2/h4-7,14,17H,3,8-9H2,1-2H3/b15-12-
InChIKeyMCSRKCATVHBCCD-QINSGFPZSA-N
XLogP1.19
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

ethyl 2-methoxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate
CID 90720155
2-[2-(methylamino)ethyl]benzamide
CID 69094527
ethyl (2E)-2-hydroxyimino-2-(2-methoxyphenyl)acetate
CID 15075008
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
ethyl (2Z)-2-hydroxyimino-2-phenylacetate
CID 15075005
N,N-diethyl-2-[2-(methylamino)ethyl]benzamide
CID 104547231
ethyl 2-methoxy-3-[2-(methylamino)ethyl]benzoate
CID 90953243
N-(2-ethoxyethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425672
2-methylpropyl 2-[2-(methylamino)ethyl]benzoate
CID 104548518
heptyl 2-[2-(methylamino)ethyl]benzoate
CID 104548525
2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one
CID 116613271
2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613172

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-hydroxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate?
The IUPAC name of ethyl (2Z)-2-hydroxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate (CID 25022566) is ethyl (2Z)-2-hydroxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate.
What is the SMILES notation for ethyl (2Z)-2-hydroxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate?
The canonical SMILES for ethyl (2Z)-2-hydroxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate is CCOC(=O)/C(=N\O)c1ccccc1CCNC.
What is the InChIKey of ethyl (2Z)-2-hydroxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate?
The InChIKey is MCSRKCATVHBCCD-QINSGFPZSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-18-13(16)12(15-17)11-7-5-4-6-10(11)8-9-14-2/h4-7,14,17H,3,8-9H2,1-2H3/b15-12-.
What are the key properties of ethyl (2Z)-2-hydroxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate?
ethyl (2Z)-2-hydroxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate has a molecular weight of 250.30 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-hydroxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate is sourced from PubChem (CID 25022566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).