2-ethoxy-3-[4-[2-[2-methylpropylcarbamoyl(3-phenylpropyl)amino]ethoxy]phenyl]propanoic acid

C27H38N2O5 — CID 22233448

IUPAC2-ethoxy-3-[4-[2-[2-methylpropylcarbamoyl(3-phenylpropyl)amino]ethoxy]phenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCCN(CCCc2ccccc2)C(=O)NCC(C)C)cc1)C(=O)O
InChIInChI=1S/C27H38N2O5/c1-4-33-25(26(30)31)19-23-12-14-24(15-13-23)34-18-17-29(27(32)28-20-21(2)3)16-8-11-22-9-6-5-7-10-22/h5-7,9-10,12-15,21,25H,4,8,11,16-20H2,1-3H3,(H,28,32)(H,30,31)
InChIKeyFWRAMCPSHAFQOL-UHFFFAOYSA-N
MW470.61 g/mol
LogP4.40
Rot. Bonds15

About 2-ethoxy-3-[4-[2-[2-methylpropylcarbamoyl(3-phenylpropyl)amino]ethoxy]phenyl]propanoic acid

2-ethoxy-3-[4-[2-[2-methylpropylcarbamoyl(3-phenylpropyl)amino]ethoxy]phenyl]propanoic acid (PubChem CID 22233448) has the molecular formula C27H38N2O5 and a molecular weight of 470.61 g/mol. Its IUPAC name is 2-ethoxy-3-[4-[2-[2-methylpropylcarbamoyl(3-phenylpropyl)amino]ethoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-[4-[2-[2-methylpropylcarbamoyl(3-phenylpropyl)amino]ethoxy]phenyl]propanoic acid
PubChem CID22233448
Molecular FormulaC27H38N2O5
Molecular Weight470.61 g/mol
Exact Mass470.28
IUPAC Name2-ethoxy-3-[4-[2-[2-methylpropylcarbamoyl(3-phenylpropyl)amino]ethoxy]phenyl]propanoic acid
SMILESCCOC(Cc1ccc(OCCN(CCCc2ccccc2)C(=O)NCC(C)C)cc1)C(=O)O
InChIInChI=1S/C27H38N2O5/c1-4-33-25(26(30)31)19-23-12-14-24(15-13-23)34-18-17-29(27(32)28-20-21(2)3)16-8-11-22-9-6-5-7-10-22/h5-7,9-10,12-15,21,25H,4,8,11,16-20H2,1-3H3,(H,28,32)(H,30,31)
InChIKeyFWRAMCPSHAFQOL-UHFFFAOYSA-N
XLogP4.40
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[2-[2,2-dimethylpropylcarbamoyl(4-phenylbutyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22233121
2-ethoxy-3-[4-[2-[3-phenoxypropyl(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid
CID 22231026
3-[4-[2-[benzylcarbamoyl(octyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22230662
3-[4-[2-[(2,4-difluorophenyl)methylcarbamoyl-(3-phenylpropyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22229747
2-ethoxy-3-[4-[2-[3-phenoxypropyl(2,2,2-trifluoroethylcarbamoyl)amino]ethoxy]phenyl]propanoic acid
CID 22231636
3-[4-[2-[butan-2-ylcarbamoyl(3-phenoxypropyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22232747
2-ethoxy-3-[4-[2-[3-(4-fluorophenyl)propyl-(2,2,2-trifluoroethylcarbamoyl)amino]ethoxy]phenyl]propanoic acid
CID 22233649
3-[4-[2-[2-butylsulfanylethyl(2-phenylethylcarbamoyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22233712
3-[4-[2-[4-cyclohexylbutyl(2-phenylethylcarbamoyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22230267
2-ethoxy-3-[4-[2-[3-phenylmethoxypropyl(2,2,2-trifluoroethylcarbamoyl)amino]ethoxy]phenyl]propanoic acid
CID 22231917
3-[4-[2-[2,2-dimethylpropylcarbamoyl(3-methylbutyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22233327
2-ethoxy-3-[4-[2-[3-propoxypropyl(propylcarbamoyl)amino]ethoxy]phenyl]propanoic acid
CID 22234494

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[4-[2-[2-methylpropylcarbamoyl(3-phenylpropyl)amino]ethoxy]phenyl]propanoic acid?
The IUPAC name of 2-ethoxy-3-[4-[2-[2-methylpropylcarbamoyl(3-phenylpropyl)amino]ethoxy]phenyl]propanoic acid (CID 22233448) is 2-ethoxy-3-[4-[2-[2-methylpropylcarbamoyl(3-phenylpropyl)amino]ethoxy]phenyl]propanoic acid.
What is the SMILES notation for 2-ethoxy-3-[4-[2-[2-methylpropylcarbamoyl(3-phenylpropyl)amino]ethoxy]phenyl]propanoic acid?
The canonical SMILES for 2-ethoxy-3-[4-[2-[2-methylpropylcarbamoyl(3-phenylpropyl)amino]ethoxy]phenyl]propanoic acid is CCOC(Cc1ccc(OCCN(CCCc2ccccc2)C(=O)NCC(C)C)cc1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-[4-[2-[2-methylpropylcarbamoyl(3-phenylpropyl)amino]ethoxy]phenyl]propanoic acid?
The InChIKey is FWRAMCPSHAFQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O5/c1-4-33-25(26(30)31)19-23-12-14-24(15-13-23)34-18-17-29(27(32)28-20-21(2)3)16-8-11-22-9-6-5-7-10-22/h5-7,9-10,12-15,21,25H,4,8,11,16-20H2,1-3H3,(H,28,32)(H,30,31).
What are the key properties of 2-ethoxy-3-[4-[2-[2-methylpropylcarbamoyl(3-phenylpropyl)amino]ethoxy]phenyl]propanoic acid?
2-ethoxy-3-[4-[2-[2-methylpropylcarbamoyl(3-phenylpropyl)amino]ethoxy]phenyl]propanoic acid has a molecular weight of 470.61 g/mol, XLogP of 4.40, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[4-[2-[2-methylpropylcarbamoyl(3-phenylpropyl)amino]ethoxy]phenyl]propanoic acid is sourced from PubChem (CID 22233448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).