(E)-2-(1-hydroxyethyl)-5-phenyl-3-[1-phenylethyl(prop-2-enyl)amino]pent-4-enoic acid

C24H29NO3 — CID 70279511

IUPAC(E)-2-(1-hydroxyethyl)-5-phenyl-3-[1-phenylethyl(prop-2-enyl)amino]pent-4-enoic acid
SMILESC=CCN(C(C)c1ccccc1)C(/C=C/c1ccccc1)C(C(=O)O)C(C)O
InChIInChI=1S/C24H29NO3/c1-4-17-25(18(2)21-13-9-6-10-14-21)22(23(19(3)26)24(27)28)16-15-20-11-7-5-8-12-20/h4-16,18-19,22-23,26H,1,17H2,2-3H3,(H,27,28)/b16-15+
InChIKeyNGTGJOZGAGBBSK-FOCLMDBBSA-N
MW379.50 g/mol
LogP4.40
Rot. Bonds10

About (E)-2-(1-hydroxyethyl)-5-phenyl-3-[1-phenylethyl(prop-2-enyl)amino]pent-4-enoic acid

(E)-2-(1-hydroxyethyl)-5-phenyl-3-[1-phenylethyl(prop-2-enyl)amino]pent-4-enoic acid (PubChem CID 70279511) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is (E)-2-(1-hydroxyethyl)-5-phenyl-3-[1-phenylethyl(prop-2-enyl)amino]pent-4-enoic acid.

Molecular Properties

Compound Name(E)-2-(1-hydroxyethyl)-5-phenyl-3-[1-phenylethyl(prop-2-enyl)amino]pent-4-enoic acid
PubChem CID70279511
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name(E)-2-(1-hydroxyethyl)-5-phenyl-3-[1-phenylethyl(prop-2-enyl)amino]pent-4-enoic acid
SMILESC=CCN(C(C)c1ccccc1)C(/C=C/c1ccccc1)C(C(=O)O)C(C)O
InChIInChI=1S/C24H29NO3/c1-4-17-25(18(2)21-13-9-6-10-14-21)22(23(19(3)26)24(27)28)16-15-20-11-7-5-8-12-20/h4-16,18-19,22-23,26H,1,17H2,2-3H3,(H,27,28)/b16-15+
InChIKeyNGTGJOZGAGBBSK-FOCLMDBBSA-N
XLogP4.40
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(1-hydroxyethyl)-5-phenyl-3-[1-phenylethyl(prop-2-enyl)amino]pent-4-enoic acid?
The IUPAC name of (E)-2-(1-hydroxyethyl)-5-phenyl-3-[1-phenylethyl(prop-2-enyl)amino]pent-4-enoic acid (CID 70279511) is (E)-2-(1-hydroxyethyl)-5-phenyl-3-[1-phenylethyl(prop-2-enyl)amino]pent-4-enoic acid.
What is the SMILES notation for (E)-2-(1-hydroxyethyl)-5-phenyl-3-[1-phenylethyl(prop-2-enyl)amino]pent-4-enoic acid?
The canonical SMILES for (E)-2-(1-hydroxyethyl)-5-phenyl-3-[1-phenylethyl(prop-2-enyl)amino]pent-4-enoic acid is C=CCN(C(C)c1ccccc1)C(/C=C/c1ccccc1)C(C(=O)O)C(C)O.
What is the InChIKey of (E)-2-(1-hydroxyethyl)-5-phenyl-3-[1-phenylethyl(prop-2-enyl)amino]pent-4-enoic acid?
The InChIKey is NGTGJOZGAGBBSK-FOCLMDBBSA-N. The full InChI is InChI=1S/C24H29NO3/c1-4-17-25(18(2)21-13-9-6-10-14-21)22(23(19(3)26)24(27)28)16-15-20-11-7-5-8-12-20/h4-16,18-19,22-23,26H,1,17H2,2-3H3,(H,27,28)/b16-15+.
What are the key properties of (E)-2-(1-hydroxyethyl)-5-phenyl-3-[1-phenylethyl(prop-2-enyl)amino]pent-4-enoic acid?
(E)-2-(1-hydroxyethyl)-5-phenyl-3-[1-phenylethyl(prop-2-enyl)amino]pent-4-enoic acid has a molecular weight of 379.50 g/mol, XLogP of 4.40, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(1-hydroxyethyl)-5-phenyl-3-[1-phenylethyl(prop-2-enyl)amino]pent-4-enoic acid is sourced from PubChem (CID 70279511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).