3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenylpropanoic acid

C22H29NO4 — CID 22682030

IUPAC3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenylpropanoic acid
SMILESCCN(CC)CCOc1ccc(CC(C(=O)O)c2ccccc2)cc1OC
InChIInChI=1S/C22H29NO4/c1-4-23(5-2)13-14-27-20-12-11-17(16-21(20)26-3)15-19(22(24)25)18-9-7-6-8-10-18/h6-12,16,19H,4-5,13-15H2,1-3H3,(H,24,25)
InChIKeySHNOTWBDRRITLL-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.83
Rot. Bonds11

About 3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenylpropanoic acid

3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenylpropanoic acid (PubChem CID 22682030) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenylpropanoic acid
PubChem CID22682030
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenylpropanoic acid
SMILESCCN(CC)CCOc1ccc(CC(C(=O)O)c2ccccc2)cc1OC
InChIInChI=1S/C22H29NO4/c1-4-23(5-2)13-14-27-20-12-11-17(16-21(20)26-3)15-19(22(24)25)18-9-7-6-8-10-18/h6-12,16,19H,4-5,13-15H2,1-3H3,(H,24,25)
InChIKeySHNOTWBDRRITLL-UHFFFAOYSA-N
XLogP3.83
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenylpropanoic acid 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

2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoic acid
CID 3897212
3-(4-methoxy-3-propoxyphenyl)-2-phenylpropanoic acid
CID 22684522
3-[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]-2-phenylpropanoic acid
CID 22686314
ethyl (2S)-2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoate;dihydrochloride
CID 3042861
3-(4-ethoxy-3-methoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83951979
2-amino-2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]acetic acid
CID 4258728
3-[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]-2-(4-methoxyphenyl)propanoic acid
CID 20988635
3-(3,4-dimethoxyphenyl)-2-(3-hydroxyphenyl)propanoic acid
CID 83955509
3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82140602
2-chloro-3-(3,4-dimethoxyphenyl)propanoic acid
CID 83969809
2-(4-aminophenyl)-3-(4-methoxy-3-propoxyphenyl)propanoic acid
CID 83953929
2-(4-fluorophenyl)-3-(4-methoxy-3-propoxyphenyl)propanoic acid
CID 82160495

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenylpropanoic acid?
The IUPAC name of 3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenylpropanoic acid (CID 22682030) is 3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenylpropanoic acid?
The canonical SMILES for 3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenylpropanoic acid is CCN(CC)CCOc1ccc(CC(C(=O)O)c2ccccc2)cc1OC.
What is the InChIKey of 3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenylpropanoic acid?
The InChIKey is SHNOTWBDRRITLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-4-23(5-2)13-14-27-20-12-11-17(16-21(20)26-3)15-19(22(24)25)18-9-7-6-8-10-18/h6-12,16,19H,4-5,13-15H2,1-3H3,(H,24,25).
What are the key properties of 3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenylpropanoic acid?
3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenylpropanoic acid has a molecular weight of 371.48 g/mol, XLogP of 3.83, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenylpropanoic acid is sourced from PubChem (CID 22682030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).