ethyl 2-[benzyl-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]acetate

C25H26FNO3 — CID 140519890

IUPACethyl 2-[benzyl-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)Cc1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C25H26FNO3/c1-2-29-25(28)18-27(16-20-8-4-3-5-9-20)17-21-12-14-23(15-13-21)30-19-22-10-6-7-11-24(22)26/h3-15H,2,16-19H2,1H3
InChIKeyJUESWLPRCUDTDU-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.97
Rot. Bonds10

About ethyl 2-[benzyl-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]acetate

ethyl 2-[benzyl-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]acetate (PubChem CID 140519890) has the molecular formula C25H26FNO3 and a molecular weight of 407.49 g/mol. Its IUPAC name is ethyl 2-[benzyl-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]acetate
PubChem CID140519890
Molecular FormulaC25H26FNO3
Molecular Weight407.49 g/mol
Exact Mass407.19
IUPAC Nameethyl 2-[benzyl-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)Cc1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C25H26FNO3/c1-2-29-25(28)18-27(16-20-8-4-3-5-9-20)17-21-12-14-23(15-13-21)30-19-22-10-6-7-11-24(22)26/h3-15H,2,16-19H2,1H3
InChIKeyJUESWLPRCUDTDU-UHFFFAOYSA-N
XLogP4.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5235503
ethyl 2-amino-3-[4-[(2-fluorophenyl)methoxy]phenyl]propanoate
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ethyl 2-[benzyl(2-fluoroethyl)amino]acetate
CID 80602116
2-[[4-[(2-fluorophenyl)methoxy]benzoyl]-[(4-methylphenyl)methyl]amino]acetic acid
CID 110165619
[4-[[bis(2-ethoxy-2-oxoethyl)amino]methyl]phenyl]-diphenylsulfanium
CID 160930446
ethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate
CID 115257573
ethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate
CID 78978637
ethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate
CID 78979113
ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate
CID 5151384
2-[[4-(2-ethoxy-2-oxoethyl)phenoxy]methyl]benzoic acid
CID 154194947
ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate
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ethyl 2-[benzyl(cyanomethyl)amino]acetate
CID 78977806

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]acetate?
The IUPAC name of ethyl 2-[benzyl-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]acetate (CID 140519890) is ethyl 2-[benzyl-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]acetate?
The canonical SMILES for ethyl 2-[benzyl-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]acetate is CCOC(=O)CN(Cc1ccccc1)Cc1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of ethyl 2-[benzyl-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]acetate?
The InChIKey is JUESWLPRCUDTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO3/c1-2-29-25(28)18-27(16-20-8-4-3-5-9-20)17-21-12-14-23(15-13-21)30-19-22-10-6-7-11-24(22)26/h3-15H,2,16-19H2,1H3.
What are the key properties of ethyl 2-[benzyl-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]acetate?
ethyl 2-[benzyl-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]acetate has a molecular weight of 407.49 g/mol, XLogP of 4.97, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]acetate is sourced from PubChem (CID 140519890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).