4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-4-phenylbutanoic acid

C22H25NO5 — CID 119201059

IUPAC4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-4-phenylbutanoic acid
SMILESC/C=C/c1ccc(OCC(=O)NC(CCC(=O)O)c2ccccc2)c(OC)c1
InChIInChI=1S/C22H25NO5/c1-3-7-16-10-12-19(20(14-16)27-2)28-15-21(24)23-18(11-13-22(25)26)17-8-5-4-6-9-17/h3-10,12,14,18H,11,13,15H2,1-2H3,(H,23,24)(H,25,26)/b7-3+
InChIKeyLSFOVIVOFVMLJF-XVNBXDOJSA-N
MW383.44 g/mol
LogP3.83
Rot. Bonds10

About 4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-4-phenylbutanoic acid

4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-4-phenylbutanoic acid (PubChem CID 119201059) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is 4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-4-phenylbutanoic acid
PubChem CID119201059
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-4-phenylbutanoic acid
SMILESC/C=C/c1ccc(OCC(=O)NC(CCC(=O)O)c2ccccc2)c(OC)c1
InChIInChI=1S/C22H25NO5/c1-3-7-16-10-12-19(20(14-16)27-2)28-15-21(24)23-18(11-13-22(25)26)17-8-5-4-6-9-17/h3-10,12,14,18H,11,13,15H2,1-2H3,(H,23,24)(H,25,26)/b7-3+
InChIKeyLSFOVIVOFVMLJF-XVNBXDOJSA-N
XLogP3.83
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-4-phenylbutanoic acid with MolForge

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 78857545
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 112763961
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 24635638
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18279710
3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700681
(2S)-N-ethyl-2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]propanamide
CID 8751619
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 60620296
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8527680
1-(2-methoxy-4-prop-1-enylphenoxy)-3-methylbutan-2-one
CID 79395591
2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]acetamide
CID 9296003
N-cyclopropyl-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7973430
[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907856

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-4-phenylbutanoic acid?
The IUPAC name of 4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-4-phenylbutanoic acid (CID 119201059) is 4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-4-phenylbutanoic acid.
What is the SMILES notation for 4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-4-phenylbutanoic acid?
The canonical SMILES for 4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-4-phenylbutanoic acid is C/C=C/c1ccc(OCC(=O)NC(CCC(=O)O)c2ccccc2)c(OC)c1.
What is the InChIKey of 4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-4-phenylbutanoic acid?
The InChIKey is LSFOVIVOFVMLJF-XVNBXDOJSA-N. The full InChI is InChI=1S/C22H25NO5/c1-3-7-16-10-12-19(20(14-16)27-2)28-15-21(24)23-18(11-13-22(25)26)17-8-5-4-6-9-17/h3-10,12,14,18H,11,13,15H2,1-2H3,(H,23,24)(H,25,26)/b7-3+.
What are the key properties of 4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-4-phenylbutanoic acid?
4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-4-phenylbutanoic acid has a molecular weight of 383.44 g/mol, XLogP of 3.83, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-4-phenylbutanoic acid is sourced from PubChem (CID 119201059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).