(E,2R,3R)-3-[benzyl(methyl)amino]-5-phenylpent-4-ene-1,2-diol

C19H23NO2 — CID 11748506

IUPAC(E,2R,3R)-3-[benzyl(methyl)amino]-5-phenylpent-4-ene-1,2-diol
SMILESCN(Cc1ccccc1)[C@H](/C=C/c1ccccc1)[C@@H](O)CO
InChIInChI=1S/C19H23NO2/c1-20(14-17-10-6-3-7-11-17)18(19(22)15-21)13-12-16-8-4-2-5-9-16/h2-13,18-19,21-22H,14-15H2,1H3/b13-12+/t18-,19+/m1/s1
InChIKeyRDCYMRGSPVLBRV-VUDPSUQNSA-N
MW297.40 g/mol
LogP2.55
Rot. Bonds7

About (E,2R,3R)-3-[benzyl(methyl)amino]-5-phenylpent-4-ene-1,2-diol

(E,2R,3R)-3-[benzyl(methyl)amino]-5-phenylpent-4-ene-1,2-diol (PubChem CID 11748506) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (E,2R,3R)-3-[benzyl(methyl)amino]-5-phenylpent-4-ene-1,2-diol.

Molecular Properties

Compound Name(E,2R,3R)-3-[benzyl(methyl)amino]-5-phenylpent-4-ene-1,2-diol
PubChem CID11748506
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(E,2R,3R)-3-[benzyl(methyl)amino]-5-phenylpent-4-ene-1,2-diol
SMILESCN(Cc1ccccc1)[C@H](/C=C/c1ccccc1)[C@@H](O)CO
InChIInChI=1S/C19H23NO2/c1-20(14-17-10-6-3-7-11-17)18(19(22)15-21)13-12-16-8-4-2-5-9-16/h2-13,18-19,21-22H,14-15H2,1H3/b13-12+/t18-,19+/m1/s1
InChIKeyRDCYMRGSPVLBRV-VUDPSUQNSA-N
XLogP2.55
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E,2R,3R)-3-[benzyl(methyl)amino]-5-phenylpent-4-ene-1,2-diol?
The IUPAC name of (E,2R,3R)-3-[benzyl(methyl)amino]-5-phenylpent-4-ene-1,2-diol (CID 11748506) is (E,2R,3R)-3-[benzyl(methyl)amino]-5-phenylpent-4-ene-1,2-diol.
What is the SMILES notation for (E,2R,3R)-3-[benzyl(methyl)amino]-5-phenylpent-4-ene-1,2-diol?
The canonical SMILES for (E,2R,3R)-3-[benzyl(methyl)amino]-5-phenylpent-4-ene-1,2-diol is CN(Cc1ccccc1)[C@H](/C=C/c1ccccc1)[C@@H](O)CO.
What is the InChIKey of (E,2R,3R)-3-[benzyl(methyl)amino]-5-phenylpent-4-ene-1,2-diol?
The InChIKey is RDCYMRGSPVLBRV-VUDPSUQNSA-N. The full InChI is InChI=1S/C19H23NO2/c1-20(14-17-10-6-3-7-11-17)18(19(22)15-21)13-12-16-8-4-2-5-9-16/h2-13,18-19,21-22H,14-15H2,1H3/b13-12+/t18-,19+/m1/s1.
What are the key properties of (E,2R,3R)-3-[benzyl(methyl)amino]-5-phenylpent-4-ene-1,2-diol?
(E,2R,3R)-3-[benzyl(methyl)amino]-5-phenylpent-4-ene-1,2-diol has a molecular weight of 297.40 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3R)-3-[benzyl(methyl)amino]-5-phenylpent-4-ene-1,2-diol is sourced from PubChem (CID 11748506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).