(E,2R)-4-phenyl-2-[[(1S)-1-phenylbut-3-enyl]amino]but-3-en-1-ol

C20H23NO — CID 11392226

IUPAC(E,2R)-4-phenyl-2-[[(1S)-1-phenylbut-3-enyl]amino]but-3-en-1-ol
SMILESC=CC[C@H](N[C@H](/C=C/c1ccccc1)CO)c1ccccc1
InChIInChI=1S/C20H23NO/c1-2-9-20(18-12-7-4-8-13-18)21-19(16-22)15-14-17-10-5-3-6-11-17/h2-8,10-15,19-22H,1,9,16H2/b15-14+/t19-,20+/m1/s1
InChIKeyWSBWUAXXJYLIDQ-PVGHIGJASA-N
MW293.41 g/mol
LogP3.97
Rot. Bonds8

About (E,2R)-4-phenyl-2-[[(1S)-1-phenylbut-3-enyl]amino]but-3-en-1-ol

(E,2R)-4-phenyl-2-[[(1S)-1-phenylbut-3-enyl]amino]but-3-en-1-ol (PubChem CID 11392226) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is (E,2R)-4-phenyl-2-[[(1S)-1-phenylbut-3-enyl]amino]but-3-en-1-ol.

Molecular Properties

Compound Name(E,2R)-4-phenyl-2-[[(1S)-1-phenylbut-3-enyl]amino]but-3-en-1-ol
PubChem CID11392226
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name(E,2R)-4-phenyl-2-[[(1S)-1-phenylbut-3-enyl]amino]but-3-en-1-ol
SMILESC=CC[C@H](N[C@H](/C=C/c1ccccc1)CO)c1ccccc1
InChIInChI=1S/C20H23NO/c1-2-9-20(18-12-7-4-8-13-18)21-19(16-22)15-14-17-10-5-3-6-11-17/h2-8,10-15,19-22H,1,9,16H2/b15-14+/t19-,20+/m1/s1
InChIKeyWSBWUAXXJYLIDQ-PVGHIGJASA-N
XLogP3.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[(1R)-1-(4-methylphenyl)but-3-enyl]amino]-2-phenylethanol
CID 11448905
(2R)-2-[[(3R)-2,2-dimethylhex-5-en-3-yl]amino]-2-phenylethanol
CID 11172674
(1R,2S)-1-phenyl-2-[[(1E,3S)-1-phenylhexa-1,5-dien-3-yl]-prop-2-enylamino]propan-1-ol
CID 101125405
N'-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-N-prop-2-enylbenzohydrazide
CID 135076144
(E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol
CID 134955286
1-phenylbut-3-enylhydrazine
CID 105199312
(2S)-2-[benzyl-[(1E)-1-phenylhexa-1,5-dien-3-yl]amino]-2-phenylethanol
CID 100951400
N-[(1R)-1-phenylbut-3-enyl]acetamide
CID 40521523
(1S)-N-[(1S,2R)-2-methoxy-1,2-diphenylethyl]-1-phenylbut-3-en-1-amine
CID 15246558
4-[(1R)-1-[[(1R)-1-phenylethyl]amino]but-3-enyl]benzonitrile
CID 101219836
2-[(E)-2-phenylethenyl]pent-4-enal
CID 12714689
(2R)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]ethanol
CID 11032401

Frequently Asked Questions

What is the IUPAC name of (E,2R)-4-phenyl-2-[[(1S)-1-phenylbut-3-enyl]amino]but-3-en-1-ol?
The IUPAC name of (E,2R)-4-phenyl-2-[[(1S)-1-phenylbut-3-enyl]amino]but-3-en-1-ol (CID 11392226) is (E,2R)-4-phenyl-2-[[(1S)-1-phenylbut-3-enyl]amino]but-3-en-1-ol.
What is the SMILES notation for (E,2R)-4-phenyl-2-[[(1S)-1-phenylbut-3-enyl]amino]but-3-en-1-ol?
The canonical SMILES for (E,2R)-4-phenyl-2-[[(1S)-1-phenylbut-3-enyl]amino]but-3-en-1-ol is C=CC[C@H](N[C@H](/C=C/c1ccccc1)CO)c1ccccc1.
What is the InChIKey of (E,2R)-4-phenyl-2-[[(1S)-1-phenylbut-3-enyl]amino]but-3-en-1-ol?
The InChIKey is WSBWUAXXJYLIDQ-PVGHIGJASA-N. The full InChI is InChI=1S/C20H23NO/c1-2-9-20(18-12-7-4-8-13-18)21-19(16-22)15-14-17-10-5-3-6-11-17/h2-8,10-15,19-22H,1,9,16H2/b15-14+/t19-,20+/m1/s1.
What are the key properties of (E,2R)-4-phenyl-2-[[(1S)-1-phenylbut-3-enyl]amino]but-3-en-1-ol?
(E,2R)-4-phenyl-2-[[(1S)-1-phenylbut-3-enyl]amino]but-3-en-1-ol has a molecular weight of 293.41 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-4-phenyl-2-[[(1S)-1-phenylbut-3-enyl]amino]but-3-en-1-ol is sourced from PubChem (CID 11392226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).