[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate

C22H26FNO5 — CID 55404129

IUPAC[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate
SMILESCCN(Cc1cccc(F)c1)C(=O)COC(=O)CCc1cccc(OC)c1OC
InChIInChI=1S/C22H26FNO5/c1-4-24(14-16-7-5-9-18(23)13-16)20(25)15-29-21(26)12-11-17-8-6-10-19(27-2)22(17)28-3/h5-10,13H,4,11-12,14-15H2,1-3H3
InChIKeyGYGARHGXZYWZMU-UHFFFAOYSA-N
MW403.45 g/mol
LogP3.37
Rot. Bonds10

About [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate

[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate (PubChem CID 55404129) has the molecular formula C22H26FNO5 and a molecular weight of 403.45 g/mol. Its IUPAC name is [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate
PubChem CID55404129
Molecular FormulaC22H26FNO5
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate
SMILESCCN(Cc1cccc(F)c1)C(=O)COC(=O)CCc1cccc(OC)c1OC
InChIInChI=1S/C22H26FNO5/c1-4-24(14-16-7-5-9-18(23)13-16)20(25)15-29-21(26)12-11-17-8-6-10-19(27-2)22(17)28-3/h5-10,13H,4,11-12,14-15H2,1-3H3
InChIKeyGYGARHGXZYWZMU-UHFFFAOYSA-N
XLogP3.37
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 55398796
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55368833
3-(2,3-dimethoxyphenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118791
2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 66702130
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203431
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55368948
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8644203
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-(1H-indazole-3-carbonylamino)propanoate
CID 51135167
(3-chlorophenyl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55368923
[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate
CID 55368789
[3-(trifluoromethyl)phenyl]methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55368745
2-hydroxyethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55563336

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate?
The IUPAC name of [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate (CID 55404129) is [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate.
What is the SMILES notation for [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate?
The canonical SMILES for [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate is CCN(Cc1cccc(F)c1)C(=O)COC(=O)CCc1cccc(OC)c1OC.
What is the InChIKey of [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate?
The InChIKey is GYGARHGXZYWZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO5/c1-4-24(14-16-7-5-9-18(23)13-16)20(25)15-29-21(26)12-11-17-8-6-10-19(27-2)22(17)28-3/h5-10,13H,4,11-12,14-15H2,1-3H3.
What are the key properties of [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate?
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate has a molecular weight of 403.45 g/mol, XLogP of 3.37, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] 3-(2,3-dimethoxyphenyl)propanoate is sourced from PubChem (CID 55404129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).