ethyl 1-[3-[3-methoxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]prop-2-enoylamino]cyclopentane-1-carboxylate

C26H28F3NO6 — CID 175156176

IUPACethyl 1-[3-[3-methoxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]prop-2-enoylamino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)C=Cc2ccc(OCc3ccc(OC(F)(F)F)cc3)c(OC)c2)CCCC1
InChIInChI=1S/C26H28F3NO6/c1-3-34-24(32)25(14-4-5-15-25)30-23(31)13-9-18-8-12-21(22(16-18)33-2)35-17-19-6-10-20(11-7-19)36-26(27,28)29/h6-13,16H,3-5,14-15,17H2,1-2H3,(H,30,31)
InChIKeyCSXPYPOUVUJXAF-UHFFFAOYSA-N
MW507.51 g/mol
LogP5.18
Rot. Bonds10

About ethyl 1-[3-[3-methoxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]prop-2-enoylamino]cyclopentane-1-carboxylate

ethyl 1-[3-[3-methoxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]prop-2-enoylamino]cyclopentane-1-carboxylate (PubChem CID 175156176) has the molecular formula C26H28F3NO6 and a molecular weight of 507.51 g/mol. Its IUPAC name is ethyl 1-[3-[3-methoxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]prop-2-enoylamino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[3-methoxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]prop-2-enoylamino]cyclopentane-1-carboxylate
PubChem CID175156176
Molecular FormulaC26H28F3NO6
Molecular Weight507.51 g/mol
Exact Mass507.19
IUPAC Nameethyl 1-[3-[3-methoxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]prop-2-enoylamino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)C=Cc2ccc(OCc3ccc(OC(F)(F)F)cc3)c(OC)c2)CCCC1
InChIInChI=1S/C26H28F3NO6/c1-3-34-24(32)25(14-4-5-15-25)30-23(31)13-9-18-8-12-21(22(16-18)33-2)35-17-19-6-10-20(11-7-19)36-26(27,28)29/h6-13,16H,3-5,14-15,17H2,1-2H3,(H,30,31)
InChIKeyCSXPYPOUVUJXAF-UHFFFAOYSA-N
XLogP5.18
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.51
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 1-[3-[3-methoxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]prop-2-enoylamino]cyclopentane-1-carboxylate 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

ethyl 1-[[(E)-3-[3-methoxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]prop-2-enoyl]amino]cyclopentane-1-carboxylate
CID 156783474
ethyl 1-[3-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoylamino]cyclopentane-1-carboxylate
CID 175154822
ethyl 1-[3-[4-[(2,6-difluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoylamino]cyclopentane-1-carboxylate
CID 175162737
ethyl 1-[[(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enoyl]amino]cyclohexane-1-carboxylate
CID 55766582
methyl 1-[[(E)-3-[4-[(3,5-difluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoyl]amino]cyclohexane-1-carboxylate
CID 156783458
(E)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enehydrazide
CID 91685038
1-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-N,N-diethylcyclohexane-1-carboxamide
CID 52725058
ethyl 2-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2791153
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide
CID 60618186
ethyl 2-[3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4692191
(E)-N-(4-ethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188948

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[3-methoxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]prop-2-enoylamino]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-[3-[3-methoxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]prop-2-enoylamino]cyclopentane-1-carboxylate (CID 175156176) is ethyl 1-[3-[3-methoxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]prop-2-enoylamino]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-[3-[3-methoxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]prop-2-enoylamino]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-[3-[3-methoxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]prop-2-enoylamino]cyclopentane-1-carboxylate is CCOC(=O)C1(NC(=O)C=Cc2ccc(OCc3ccc(OC(F)(F)F)cc3)c(OC)c2)CCCC1.
What is the InChIKey of ethyl 1-[3-[3-methoxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]prop-2-enoylamino]cyclopentane-1-carboxylate?
The InChIKey is CSXPYPOUVUJXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3NO6/c1-3-34-24(32)25(14-4-5-15-25)30-23(31)13-9-18-8-12-21(22(16-18)33-2)35-17-19-6-10-20(11-7-19)36-26(27,28)29/h6-13,16H,3-5,14-15,17H2,1-2H3,(H,30,31).
What are the key properties of ethyl 1-[3-[3-methoxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]prop-2-enoylamino]cyclopentane-1-carboxylate?
ethyl 1-[3-[3-methoxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]prop-2-enoylamino]cyclopentane-1-carboxylate has a molecular weight of 507.51 g/mol, XLogP of 5.18, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[3-methoxy-4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]prop-2-enoylamino]cyclopentane-1-carboxylate is sourced from PubChem (CID 175156176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).