ethyl 3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]propanoate

C24H30FNO5 — CID 20777423

IUPACethyl 3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCCOC(=O)C(Cc1ccc(OC)c(C(=O)NCc2ccc(F)cc2)c1)OC(C)(C)C
InChIInChI=1S/C24H30FNO5/c1-6-30-23(28)21(31-24(2,3)4)14-17-9-12-20(29-5)19(13-17)22(27)26-15-16-7-10-18(25)11-8-16/h7-13,21H,6,14-15H2,1-5H3,(H,26,27)
InChIKeyFYHWOTZHRIMSFO-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.05
Rot. Bonds9

About ethyl 3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]propanoate

ethyl 3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]propanoate (PubChem CID 20777423) has the molecular formula C24H30FNO5 and a molecular weight of 431.50 g/mol. Its IUPAC name is ethyl 3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]propanoate
PubChem CID20777423
Molecular FormulaC24H30FNO5
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Nameethyl 3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]propanoate
SMILESCCOC(=O)C(Cc1ccc(OC)c(C(=O)NCc2ccc(F)cc2)c1)OC(C)(C)C
InChIInChI=1S/C24H30FNO5/c1-6-30-23(28)21(31-24(2,3)4)14-17-9-12-20(29-5)19(13-17)22(27)26-15-16-7-10-18(25)11-8-16/h7-13,21H,6,14-15H2,1-5H3,(H,26,27)
InChIKeyFYHWOTZHRIMSFO-UHFFFAOYSA-N
XLogP4.05
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]propanoate with MolForge

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Related Compounds

5-[3-ethoxy-2-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-methoxybenzoic acid
CID 22493890
methyl 3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-(2,2,2-trifluoroethoxy)propanoate
CID 20777435
2-[[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]methyl]butanoic acid
CID 20777225
3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-hydroxypropanoic acid
CID 20777373
ethyl 2-[[4-methoxy-3-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoate
CID 10972172
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
(2S)-3-[3-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]-4-methoxyphenyl]-2-methylpropanoic acid
CID 58031797
4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid
CID 162755933
2-cyclohexyloxy-3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]propanoic acid;difluoromethane
CID 160771886
ethyl 2-[[4-methoxy-3-[(3-phenoxyphenyl)methylcarbamoyl]phenyl]methyl]butanoate
CID 10874221
5-fluoro-2-methoxy-N-[(3-methoxy-5-methylphenyl)methyl]benzamide
CID 167787930
ethyl 3-[3-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-4-methoxyphenyl]-2-propan-2-yloxypropanoate
CID 22494185

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]propanoate?
The IUPAC name of ethyl 3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]propanoate (CID 20777423) is ethyl 3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]propanoate.
What is the SMILES notation for ethyl 3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]propanoate?
The canonical SMILES for ethyl 3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]propanoate is CCOC(=O)C(Cc1ccc(OC)c(C(=O)NCc2ccc(F)cc2)c1)OC(C)(C)C.
What is the InChIKey of ethyl 3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]propanoate?
The InChIKey is FYHWOTZHRIMSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FNO5/c1-6-30-23(28)21(31-24(2,3)4)14-17-9-12-20(29-5)19(13-17)22(27)26-15-16-7-10-18(25)11-8-16/h7-13,21H,6,14-15H2,1-5H3,(H,26,27).
What are the key properties of ethyl 3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]propanoate?
ethyl 3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]propanoate has a molecular weight of 431.50 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[(4-fluorophenyl)methylcarbamoyl]-4-methoxyphenyl]-2-[(2-methylpropan-2-yl)oxy]propanoate is sourced from PubChem (CID 20777423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).