methyl 2-methoxyimino-2-[2-[[1-[(2S)-2-phenylcyclopropylidene]ethylamino]oxymethyl]phenyl]acetate

C22H24N2O4 — CID 57116646

IUPACmethyl 2-methoxyimino-2-[2-[[1-[(2S)-2-phenylcyclopropylidene]ethylamino]oxymethyl]phenyl]acetate
SMILESCON=C(C(=O)OC)c1ccccc1CONC(C)=C1C[C@H]1c1ccccc1
InChIInChI=1S/C22H24N2O4/c1-15(19-13-20(19)16-9-5-4-6-10-16)23-28-14-17-11-7-8-12-18(17)21(24-27-3)22(25)26-2/h4-12,20,23H,13-14H2,1-3H3/t20-/m0/s1
InChIKeyWRJAZXOEQLBNJG-FQEVSTJZSA-N
MW380.44 g/mol
LogP3.69
Rot. Bonds8

About methyl 2-methoxyimino-2-[2-[[1-[(2S)-2-phenylcyclopropylidene]ethylamino]oxymethyl]phenyl]acetate

methyl 2-methoxyimino-2-[2-[[1-[(2S)-2-phenylcyclopropylidene]ethylamino]oxymethyl]phenyl]acetate (PubChem CID 57116646) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is methyl 2-methoxyimino-2-[2-[[1-[(2S)-2-phenylcyclopropylidene]ethylamino]oxymethyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-methoxyimino-2-[2-[[1-[(2S)-2-phenylcyclopropylidene]ethylamino]oxymethyl]phenyl]acetate
PubChem CID57116646
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Namemethyl 2-methoxyimino-2-[2-[[1-[(2S)-2-phenylcyclopropylidene]ethylamino]oxymethyl]phenyl]acetate
SMILESCON=C(C(=O)OC)c1ccccc1CONC(C)=C1C[C@H]1c1ccccc1
InChIInChI=1S/C22H24N2O4/c1-15(19-13-20(19)16-9-5-4-6-10-16)23-28-14-17-11-7-8-12-18(17)21(24-27-3)22(25)26-2/h4-12,20,23H,13-14H2,1-3H3/t20-/m0/s1
InChIKeyWRJAZXOEQLBNJG-FQEVSTJZSA-N
XLogP3.69
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-methoxyimino-2-[2-[[1-[(2S)-2-phenylcyclopropylidene]ethylamino]oxymethyl]phenyl]acetate 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

methyl (2Z)-2-methoxyimino-2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]oxymethyl]phenyl]acetate
CID 154724313
methyl 2-[2-[[[3-(4-chlorophenyl)-3-methoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 91027398
methyl (2E)-2-[2-[[(E)-1-(2-fluorophenyl)ethylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 157023984
methyl (2E)-2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 18649055
methyl 2-[2-[(4-acetylphenoxy)methyl]phenyl]-2-methoxyiminoacetate
CID 54461346
methyl (2E)-2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 90800488
methyl 2-[2-[(benzylideneamino)oxymethyl]phenyl]-2-methoxyiminoacetate
CID 72606228
methyl (2Z)-2-methoxyimino-2-[2-[[(Z)-[(3Z)-3-methoxyimino-4-methylpentan-2-ylidene]amino]oxymethyl]phenyl]acetate
CID 24757310
methyl (2Z)-2-[2-(chloromethyl)phenyl]-2-methoxyiminoacetate
CID 11064561
methyl (E)-2-[2-[[[(2E)-2-methoxyimino-2-phenylacetyl]amino]oxymethyl]phenyl]but-2-enoate
CID 10872642
methyl 2-methoxyimino-2-[2-[(2-methoxyphenoxy)methyl]phenyl]acetate
CID 139669220
methyl (2E)-2-[2-[[(E)-1-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]ethylideneamino]oxymethyl]phenyl]-2-methoxyiminoacetate
CID 173271663

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxyimino-2-[2-[[1-[(2S)-2-phenylcyclopropylidene]ethylamino]oxymethyl]phenyl]acetate?
The IUPAC name of methyl 2-methoxyimino-2-[2-[[1-[(2S)-2-phenylcyclopropylidene]ethylamino]oxymethyl]phenyl]acetate (CID 57116646) is methyl 2-methoxyimino-2-[2-[[1-[(2S)-2-phenylcyclopropylidene]ethylamino]oxymethyl]phenyl]acetate.
What is the SMILES notation for methyl 2-methoxyimino-2-[2-[[1-[(2S)-2-phenylcyclopropylidene]ethylamino]oxymethyl]phenyl]acetate?
The canonical SMILES for methyl 2-methoxyimino-2-[2-[[1-[(2S)-2-phenylcyclopropylidene]ethylamino]oxymethyl]phenyl]acetate is CON=C(C(=O)OC)c1ccccc1CONC(C)=C1C[C@H]1c1ccccc1.
What is the InChIKey of methyl 2-methoxyimino-2-[2-[[1-[(2S)-2-phenylcyclopropylidene]ethylamino]oxymethyl]phenyl]acetate?
The InChIKey is WRJAZXOEQLBNJG-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15(19-13-20(19)16-9-5-4-6-10-16)23-28-14-17-11-7-8-12-18(17)21(24-27-3)22(25)26-2/h4-12,20,23H,13-14H2,1-3H3/t20-/m0/s1.
What are the key properties of methyl 2-methoxyimino-2-[2-[[1-[(2S)-2-phenylcyclopropylidene]ethylamino]oxymethyl]phenyl]acetate?
methyl 2-methoxyimino-2-[2-[[1-[(2S)-2-phenylcyclopropylidene]ethylamino]oxymethyl]phenyl]acetate has a molecular weight of 380.44 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxyimino-2-[2-[[1-[(2S)-2-phenylcyclopropylidene]ethylamino]oxymethyl]phenyl]acetate is sourced from PubChem (CID 57116646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).