4-(4-aminophenyl)-5-(4-ethoxyphenyl)pent-4-enoic acid

C19H21NO3 — CID 70626719

IUPAC4-(4-aminophenyl)-5-(4-ethoxyphenyl)pent-4-enoic acid
SMILESCCOc1ccc(C=C(CCC(=O)O)c2ccc(N)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-2-23-18-10-3-14(4-11-18)13-16(7-12-19(21)22)15-5-8-17(20)9-6-15/h3-6,8-11,13H,2,7,12,20H2,1H3,(H,21,22)
InChIKeyLSWYVPXSRIBOQT-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.07
Rot. Bonds7

About 4-(4-aminophenyl)-5-(4-ethoxyphenyl)pent-4-enoic acid

4-(4-aminophenyl)-5-(4-ethoxyphenyl)pent-4-enoic acid (PubChem CID 70626719) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-(4-aminophenyl)-5-(4-ethoxyphenyl)pent-4-enoic acid.

Molecular Properties

Compound Name4-(4-aminophenyl)-5-(4-ethoxyphenyl)pent-4-enoic acid
PubChem CID70626719
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name4-(4-aminophenyl)-5-(4-ethoxyphenyl)pent-4-enoic acid
SMILESCCOc1ccc(C=C(CCC(=O)O)c2ccc(N)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-2-23-18-10-3-14(4-11-18)13-16(7-12-19(21)22)15-5-8-17(20)9-6-15/h3-6,8-11,13H,2,7,12,20H2,1H3,(H,21,22)
InChIKeyLSWYVPXSRIBOQT-UHFFFAOYSA-N
XLogP4.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-3-(4-propoxyphenyl)prop-2-enoic acid
CID 54537556
3-(4-ethoxyphenyl)-2-methylprop-2-enoic acid
CID 54032507
5-(4-ethoxyphenyl)pent-4-enoic acid
CID 54525695
4-[4-[(Z)-2-(4-aminophenyl)ethenyl]phenoxy]butanoic acid
CID 69438444
2-(4-aminophenyl)-3-(4-hexoxyphenyl)prop-2-enoic acid
CID 54230127
3-(4-ethoxyphenyl)-2-fluoroprop-2-enoic acid
CID 79726253
(Z)-3-(4-ethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoic acid
CID 83950433
4-(4-aminophenoxy)butanoic acid
CID 14451763
4-ethoxyaniline;4-hydroxy-3-methoxybenzaldehyde;propanoic acid
CID 88605667
(E)-4-(4-aminophenyl)hept-3-enoic acid
CID 112721867
3-[[3-(4-ethoxyphenyl)-3-oxopropyl]amino]propanoic acid
CID 3684278
2-cyano-3-(4-ethoxyphenyl)prop-2-enoic acid
CID 3557192

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-5-(4-ethoxyphenyl)pent-4-enoic acid?
The IUPAC name of 4-(4-aminophenyl)-5-(4-ethoxyphenyl)pent-4-enoic acid (CID 70626719) is 4-(4-aminophenyl)-5-(4-ethoxyphenyl)pent-4-enoic acid.
What is the SMILES notation for 4-(4-aminophenyl)-5-(4-ethoxyphenyl)pent-4-enoic acid?
The canonical SMILES for 4-(4-aminophenyl)-5-(4-ethoxyphenyl)pent-4-enoic acid is CCOc1ccc(C=C(CCC(=O)O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)-5-(4-ethoxyphenyl)pent-4-enoic acid?
The InChIKey is LSWYVPXSRIBOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-23-18-10-3-14(4-11-18)13-16(7-12-19(21)22)15-5-8-17(20)9-6-15/h3-6,8-11,13H,2,7,12,20H2,1H3,(H,21,22).
What are the key properties of 4-(4-aminophenyl)-5-(4-ethoxyphenyl)pent-4-enoic acid?
4-(4-aminophenyl)-5-(4-ethoxyphenyl)pent-4-enoic acid has a molecular weight of 311.38 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-5-(4-ethoxyphenyl)pent-4-enoic acid is sourced from PubChem (CID 70626719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).