methyl 2-ethoxyimino-2-[2-[1-[[2-prop-2-ynoxyimino-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylidene]amino]oxyethyl]phenyl]acetate

C32H30F3N3O6 — CID 173309464

IUPACmethyl 2-ethoxyimino-2-[2-[1-[[2-prop-2-ynoxyimino-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylidene]amino]oxyethyl]phenyl]acetate
SMILESC#CCON=C(C=NOC(C)c1ccccc1C(=NOCC)C(=O)OC)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C32H30F3N3O6/c1-5-18-43-37-29(24-14-16-26(17-15-24)41-21-23-10-9-11-25(19-23)32(33,34)35)20-36-44-22(3)27-12-7-8-13-28(27)30(31(39)40-4)38-42-6-2/h1,7-17,19-20,22H,6,18,21H2,2-4H3
InChIKeyLEVNGEWESPUSGI-UHFFFAOYSA-N
MW609.60 g/mol
LogP6.32
Rot. Bonds14

About methyl 2-ethoxyimino-2-[2-[1-[[2-prop-2-ynoxyimino-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylidene]amino]oxyethyl]phenyl]acetate

methyl 2-ethoxyimino-2-[2-[1-[[2-prop-2-ynoxyimino-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylidene]amino]oxyethyl]phenyl]acetate (PubChem CID 173309464) has the molecular formula C32H30F3N3O6 and a molecular weight of 609.60 g/mol. Its IUPAC name is methyl 2-ethoxyimino-2-[2-[1-[[2-prop-2-ynoxyimino-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylidene]amino]oxyethyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-ethoxyimino-2-[2-[1-[[2-prop-2-ynoxyimino-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylidene]amino]oxyethyl]phenyl]acetate
PubChem CID173309464
Molecular FormulaC32H30F3N3O6
Molecular Weight609.60 g/mol
Exact Mass609.21
IUPAC Namemethyl 2-ethoxyimino-2-[2-[1-[[2-prop-2-ynoxyimino-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylidene]amino]oxyethyl]phenyl]acetate
SMILESC#CCON=C(C=NOC(C)c1ccccc1C(=NOCC)C(=O)OC)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C32H30F3N3O6/c1-5-18-43-37-29(24-14-16-26(17-15-24)41-21-23-10-9-11-25(19-23)32(33,34)35)20-36-44-22(3)27-12-7-8-13-28(27)30(31(39)40-4)38-42-6-2/h1,7-17,19-20,22H,6,18,21H2,2-4H3
InChIKeyLEVNGEWESPUSGI-UHFFFAOYSA-N
XLogP6.32
TPSA100.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.60
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze methyl 2-ethoxyimino-2-[2-[1-[[2-prop-2-ynoxyimino-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylidene]amino]oxyethyl]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 3-methoxy-2-[2-[[[(1E)-1-prop-2-ynoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-ylidene]amino]oxymethyl]phenyl]prop-2-enoate
CID 172938924
methyl 2-[2-[1-[[2-[4-[(4-tert-butylphenyl)methoxy]phenyl]-2-methoxyiminoethylidene]amino]oxyethyl]phenyl]-3-methoxyprop-2-enoate
CID 142635848
1-N-ethoxy-2-N-propoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propane-1,2-diimine
CID 20684469
(2E)-2-methoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one
CID 59967532
2-methyl-3-(methylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide;hydrochloride
CID 119773685
methyl (2Z)-2-methoxyimino-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]acetate
CID 5472357
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
methyl 2-[2-[[[1-ethoxyimino-1-[4-[3-(trifluoromethyl)phenoxy]phenyl]but-2-en-2-yl]amino]oxymethyl]phenyl]-3-methoxyprop-2-enoate
CID 57159258
methyl (2E)-2-[4,5-dimethyl-2-[[3-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]cyclohexa-1,4-dien-1-yl]-2-methoxyiminoacetate;methyl (2E)-2-[2-[(3-hydroxyphenoxy)methyl]-4,5-dimethylcyclohexa-1,4-dien-1-yl]-2-methoxyiminoacetate
CID 172938381
prop-2-enyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
CID 141148449
(2E)-2-[[2-[(E)-N-methoxy-C-methoxycarbonylcarbonimidoyl]phenyl]methoxyimino]-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 172919111
(1E)-1-methoxyimino-1-[2-[(E)-1-[3-(trifluoromethyl)phenyl]ethoxyiminomethyl]phenyl]propan-2-one
CID 59868630

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethoxyimino-2-[2-[1-[[2-prop-2-ynoxyimino-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylidene]amino]oxyethyl]phenyl]acetate?
The IUPAC name of methyl 2-ethoxyimino-2-[2-[1-[[2-prop-2-ynoxyimino-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylidene]amino]oxyethyl]phenyl]acetate (CID 173309464) is methyl 2-ethoxyimino-2-[2-[1-[[2-prop-2-ynoxyimino-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylidene]amino]oxyethyl]phenyl]acetate.
What is the SMILES notation for methyl 2-ethoxyimino-2-[2-[1-[[2-prop-2-ynoxyimino-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylidene]amino]oxyethyl]phenyl]acetate?
The canonical SMILES for methyl 2-ethoxyimino-2-[2-[1-[[2-prop-2-ynoxyimino-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylidene]amino]oxyethyl]phenyl]acetate is C#CCON=C(C=NOC(C)c1ccccc1C(=NOCC)C(=O)OC)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of methyl 2-ethoxyimino-2-[2-[1-[[2-prop-2-ynoxyimino-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylidene]amino]oxyethyl]phenyl]acetate?
The InChIKey is LEVNGEWESPUSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30F3N3O6/c1-5-18-43-37-29(24-14-16-26(17-15-24)41-21-23-10-9-11-25(19-23)32(33,34)35)20-36-44-22(3)27-12-7-8-13-28(27)30(31(39)40-4)38-42-6-2/h1,7-17,19-20,22H,6,18,21H2,2-4H3.
What are the key properties of methyl 2-ethoxyimino-2-[2-[1-[[2-prop-2-ynoxyimino-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylidene]amino]oxyethyl]phenyl]acetate?
methyl 2-ethoxyimino-2-[2-[1-[[2-prop-2-ynoxyimino-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylidene]amino]oxyethyl]phenyl]acetate has a molecular weight of 609.60 g/mol, XLogP of 6.32, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethoxyimino-2-[2-[1-[[2-prop-2-ynoxyimino-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylidene]amino]oxyethyl]phenyl]acetate is sourced from PubChem (CID 173309464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).