ethyl 2-methoxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate

C14H20N2O3 — CID 90720155

IUPACethyl 2-methoxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate
SMILESCCOC(=O)C(=NOC)c1ccccc1CCNC
InChIInChI=1S/C14H20N2O3/c1-4-19-14(17)13(16-18-3)12-8-6-5-7-11(12)9-10-15-2/h5-8,15H,4,9-10H2,1-3H3
InChIKeyGIZRSZXWBQVXKD-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.36
Rot. Bonds7

About ethyl 2-methoxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate

ethyl 2-methoxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate (PubChem CID 90720155) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-methoxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-methoxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate
PubChem CID90720155
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 2-methoxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate
SMILESCCOC(=O)C(=NOC)c1ccccc1CCNC
InChIInChI=1S/C14H20N2O3/c1-4-19-14(17)13(16-18-3)12-8-6-5-7-11(12)9-10-15-2/h5-8,15H,4,9-10H2,1-3H3
InChIKeyGIZRSZXWBQVXKD-UHFFFAOYSA-N
XLogP1.36
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2Z)-2-hydroxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate
CID 25022566
ethyl (2E)-2-[2-(diethoxymethyl)phenyl]-2-methoxyiminoacetate
CID 11823021
2-[2-(methylamino)ethyl]benzamide
CID 69094527
methyl (2Z)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate
CID 11064561
(2Z)-2-(2-ethylphenyl)-2-methoxyimino-N-methylacetamide
CID 22886048
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
ethyl 2-methoxy-3-[2-(methylamino)ethyl]benzoate
CID 90953243
ethyl (2E)-2-[2-(1,3-dioxolan-2-yl)phenyl]-2-methoxyiminoacetate
CID 10779037
N-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide
CID 104547715
methyl 2-methoxyimino-2-[2-[(2-propylphenoxy)methyl]phenyl]acetate
CID 139669242
N,N-diethyl-2-[2-(methylamino)ethyl]benzamide
CID 104547231
N-(2-ethoxyethyl)-2-[2-(methylamino)ethyl]benzamide
CID 113425672

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate?
The IUPAC name of ethyl 2-methoxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate (CID 90720155) is ethyl 2-methoxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate.
What is the SMILES notation for ethyl 2-methoxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate?
The canonical SMILES for ethyl 2-methoxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate is CCOC(=O)C(=NOC)c1ccccc1CCNC.
What is the InChIKey of ethyl 2-methoxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate?
The InChIKey is GIZRSZXWBQVXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-19-14(17)13(16-18-3)12-8-6-5-7-11(12)9-10-15-2/h5-8,15H,4,9-10H2,1-3H3.
What are the key properties of ethyl 2-methoxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate?
ethyl 2-methoxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate has a molecular weight of 264.32 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxyimino-2-[2-[2-(methylamino)ethyl]phenyl]acetate is sourced from PubChem (CID 90720155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).