5-[4-[2-oxo-2-(2-phenylpropylamino)ethyl]phenyl]-4-phenylpent-4-enoic acid

C28H29NO3 — CID 54061697

IUPAC5-[4-[2-oxo-2-(2-phenylpropylamino)ethyl]phenyl]-4-phenylpent-4-enoic acid
SMILESCC(CNC(=O)Cc1ccc(C=C(CCC(=O)O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C28H29NO3/c1-21(24-8-4-2-5-9-24)20-29-27(30)19-23-14-12-22(13-15-23)18-26(16-17-28(31)32)25-10-6-3-7-11-25/h2-15,18,21H,16-17,19-20H2,1H3,(H,29,30)(H,31,32)
InChIKeyMAEHIKZUJOQZMO-UHFFFAOYSA-N
MW427.54 g/mol
LogP5.55
Rot. Bonds10

About 5-[4-[2-oxo-2-(2-phenylpropylamino)ethyl]phenyl]-4-phenylpent-4-enoic acid

5-[4-[2-oxo-2-(2-phenylpropylamino)ethyl]phenyl]-4-phenylpent-4-enoic acid (PubChem CID 54061697) has the molecular formula C28H29NO3 and a molecular weight of 427.54 g/mol. Its IUPAC name is 5-[4-[2-oxo-2-(2-phenylpropylamino)ethyl]phenyl]-4-phenylpent-4-enoic acid.

Molecular Properties

Compound Name5-[4-[2-oxo-2-(2-phenylpropylamino)ethyl]phenyl]-4-phenylpent-4-enoic acid
PubChem CID54061697
Molecular FormulaC28H29NO3
Molecular Weight427.54 g/mol
Exact Mass427.21
IUPAC Name5-[4-[2-oxo-2-(2-phenylpropylamino)ethyl]phenyl]-4-phenylpent-4-enoic acid
SMILESCC(CNC(=O)Cc1ccc(C=C(CCC(=O)O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C28H29NO3/c1-21(24-8-4-2-5-9-24)20-29-27(30)19-23-14-12-22(13-15-23)18-26(16-17-28(31)32)25-10-6-3-7-11-25/h2-15,18,21H,16-17,19-20H2,1H3,(H,29,30)(H,31,32)
InChIKeyMAEHIKZUJOQZMO-UHFFFAOYSA-N
XLogP5.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.54
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 5-[4-[2-oxo-2-(2-phenylpropylamino)ethyl]phenyl]-4-phenylpent-4-enoic 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-(3,4-dihydroxyphenyl)-N-(2-phenylpropyl)acetamide;ethane
CID 144787004
2-[[2-oxo-2-(2-phenylpropylamino)ethyl]amino]acetic acid
CID 43465997
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
3-(4-methylphenyl)-N-(2-phenylpropyl)propanamide
CID 133229339
3-amino-3-phenyl-N-(2-phenylpropyl)propanamide
CID 61253056
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-phenylphenyl)acetate
CID 7703814
3-(2-fluorophenyl)-N-[(2S)-2-phenylpropyl]propanamide
CID 94107192
4-methyl-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400864
4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide
CID 24636628
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400868
2-(2,4-dichlorophenyl)-N-[(2S)-2-phenylpropyl]acetamide
CID 9302274

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-oxo-2-(2-phenylpropylamino)ethyl]phenyl]-4-phenylpent-4-enoic acid?
The IUPAC name of 5-[4-[2-oxo-2-(2-phenylpropylamino)ethyl]phenyl]-4-phenylpent-4-enoic acid (CID 54061697) is 5-[4-[2-oxo-2-(2-phenylpropylamino)ethyl]phenyl]-4-phenylpent-4-enoic acid.
What is the SMILES notation for 5-[4-[2-oxo-2-(2-phenylpropylamino)ethyl]phenyl]-4-phenylpent-4-enoic acid?
The canonical SMILES for 5-[4-[2-oxo-2-(2-phenylpropylamino)ethyl]phenyl]-4-phenylpent-4-enoic acid is CC(CNC(=O)Cc1ccc(C=C(CCC(=O)O)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 5-[4-[2-oxo-2-(2-phenylpropylamino)ethyl]phenyl]-4-phenylpent-4-enoic acid?
The InChIKey is MAEHIKZUJOQZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO3/c1-21(24-8-4-2-5-9-24)20-29-27(30)19-23-14-12-22(13-15-23)18-26(16-17-28(31)32)25-10-6-3-7-11-25/h2-15,18,21H,16-17,19-20H2,1H3,(H,29,30)(H,31,32).
What are the key properties of 5-[4-[2-oxo-2-(2-phenylpropylamino)ethyl]phenyl]-4-phenylpent-4-enoic acid?
5-[4-[2-oxo-2-(2-phenylpropylamino)ethyl]phenyl]-4-phenylpent-4-enoic acid has a molecular weight of 427.54 g/mol, XLogP of 5.55, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-oxo-2-(2-phenylpropylamino)ethyl]phenyl]-4-phenylpent-4-enoic acid is sourced from PubChem (CID 54061697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).