3-[(3-ethoxyphenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid

C22H23NO7 — CID 70651372

IUPAC3-[(3-ethoxyphenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
SMILESCCOc1cccc(COCC(NC(=O)c2cc3cc(OC)ccc3o2)C(=O)O)c1
InChIInChI=1S/C22H23NO7/c1-3-29-17-6-4-5-14(9-17)12-28-13-18(22(25)26)23-21(24)20-11-15-10-16(27-2)7-8-19(15)30-20/h4-11,18H,3,12-13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyJQQCVYPNSPDXKW-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.24
Rot. Bonds10

About 3-[(3-ethoxyphenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid

3-[(3-ethoxyphenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid (PubChem CID 70651372) has the molecular formula C22H23NO7 and a molecular weight of 413.43 g/mol. Its IUPAC name is 3-[(3-ethoxyphenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(3-ethoxyphenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
PubChem CID70651372
Molecular FormulaC22H23NO7
Molecular Weight413.43 g/mol
Exact Mass413.15
IUPAC Name3-[(3-ethoxyphenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
SMILESCCOc1cccc(COCC(NC(=O)c2cc3cc(OC)ccc3o2)C(=O)O)c1
InChIInChI=1S/C22H23NO7/c1-3-29-17-6-4-5-14(9-17)12-28-13-18(22(25)26)23-21(24)20-11-15-10-16(27-2)7-8-19(15)30-20/h4-11,18H,3,12-13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyJQQCVYPNSPDXKW-UHFFFAOYSA-N
XLogP3.24
TPSA107.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(3-ethoxyphenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic 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

3-[(3-fluorophenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 70651354
3-[(3-cyanophenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 70651997
3-[(4-ethylphenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 70652439
3-[(4-fluorophenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 70651258
N-(3-ethoxyphenyl)-5-methoxy-1-benzofuran-2-carboxamide
CID 126194395
2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid
CID 65443170
(2S)-3-[4-(2-ethoxyphenyl)phenyl]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 70651785
3-[4-(2-ethoxyphenyl)phenyl]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 56597078
2-[(5-cyano-1-benzofuran-2-carbonyl)amino]-3-phenylmethoxypropanoic acid
CID 56596693
N-[(2S)-1-[(4-ethylphenyl)methoxy]-3-oxopropan-2-yl]-5-methoxy-1-benzofuran-2-carboxamide
CID 88875486
3-[4-[2-carboxy-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]ethyl]phenyl]benzoic acid
CID 70651777
(2S)-3-[4-(3-carbamoylphenyl)phenyl]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 70652418

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxyphenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(3-ethoxyphenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid (CID 70651372) is 3-[(3-ethoxyphenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(3-ethoxyphenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(3-ethoxyphenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid is CCOc1cccc(COCC(NC(=O)c2cc3cc(OC)ccc3o2)C(=O)O)c1.
What is the InChIKey of 3-[(3-ethoxyphenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid?
The InChIKey is JQQCVYPNSPDXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO7/c1-3-29-17-6-4-5-14(9-17)12-28-13-18(22(25)26)23-21(24)20-11-15-10-16(27-2)7-8-19(15)30-20/h4-11,18H,3,12-13H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 3-[(3-ethoxyphenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid?
3-[(3-ethoxyphenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid has a molecular weight of 413.43 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxyphenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 70651372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).