(4E)-4-ethenyl-1-morpholin-4-yl-2-(1-phenylethylamino)hepta-4,6-dien-3-ol

C21H30N2O2 — CID 143270163

IUPAC(4E)-4-ethenyl-1-morpholin-4-yl-2-(1-phenylethylamino)hepta-4,6-dien-3-ol
SMILESC=C/C=C(\C=C)C(O)C(CN1CCOCC1)NC(C)c1ccccc1
InChIInChI=1S/C21H30N2O2/c1-4-9-18(5-2)21(24)20(16-23-12-14-25-15-13-23)22-17(3)19-10-7-6-8-11-19/h4-11,17,20-22,24H,1-2,12-16H2,3H3/b18-9+
InChIKeyMPPOJEYCKMGBPA-GIJQJNRQSA-N
MW342.48 g/mol
LogP2.70
Rot. Bonds9

About (4E)-4-ethenyl-1-morpholin-4-yl-2-(1-phenylethylamino)hepta-4,6-dien-3-ol

(4E)-4-ethenyl-1-morpholin-4-yl-2-(1-phenylethylamino)hepta-4,6-dien-3-ol (PubChem CID 143270163) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is (4E)-4-ethenyl-1-morpholin-4-yl-2-(1-phenylethylamino)hepta-4,6-dien-3-ol.

Molecular Properties

Compound Name(4E)-4-ethenyl-1-morpholin-4-yl-2-(1-phenylethylamino)hepta-4,6-dien-3-ol
PubChem CID143270163
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name(4E)-4-ethenyl-1-morpholin-4-yl-2-(1-phenylethylamino)hepta-4,6-dien-3-ol
SMILESC=C/C=C(\C=C)C(O)C(CN1CCOCC1)NC(C)c1ccccc1
InChIInChI=1S/C21H30N2O2/c1-4-9-18(5-2)21(24)20(16-23-12-14-25-15-13-23)22-17(3)19-10-7-6-8-11-19/h4-11,17,20-22,24H,1-2,12-16H2,3H3/b18-9+
InChIKeyMPPOJEYCKMGBPA-GIJQJNRQSA-N
XLogP2.70
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4E)-4-ethenyl-1-morpholin-4-yl-2-(1-phenylethylamino)hepta-4,6-dien-3-ol 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

3-morpholin-4-yl-1-phenyl-2-[[(1S)-1-phenylethyl]amino]propan-1-ol;dihydrochloride
CID 66646151
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-diol
CID 56688049
N-[1-(4-iodophenyl)ethyl]-1-morpholin-4-ylpropan-2-amine
CID 43779473
3-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]benzonitrile
CID 43779519
N-[(1R)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]decanamide;hydrochloride
CID 11957677
N-[(1S,2S)-1-hydroxy-3-morpholin-4-yl-1-phenylpropan-2-yl]hexadecanamide;hydrochloride
CID 133124946
1-(1-phenylethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729010
1-[3-(morpholin-4-ylmethyl)phenyl]ethyl prop-2-enoate
CID 141095807
4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113105903

Frequently Asked Questions

What is the IUPAC name of (4E)-4-ethenyl-1-morpholin-4-yl-2-(1-phenylethylamino)hepta-4,6-dien-3-ol?
The IUPAC name of (4E)-4-ethenyl-1-morpholin-4-yl-2-(1-phenylethylamino)hepta-4,6-dien-3-ol (CID 143270163) is (4E)-4-ethenyl-1-morpholin-4-yl-2-(1-phenylethylamino)hepta-4,6-dien-3-ol.
What is the SMILES notation for (4E)-4-ethenyl-1-morpholin-4-yl-2-(1-phenylethylamino)hepta-4,6-dien-3-ol?
The canonical SMILES for (4E)-4-ethenyl-1-morpholin-4-yl-2-(1-phenylethylamino)hepta-4,6-dien-3-ol is C=C/C=C(\C=C)C(O)C(CN1CCOCC1)NC(C)c1ccccc1.
What is the InChIKey of (4E)-4-ethenyl-1-morpholin-4-yl-2-(1-phenylethylamino)hepta-4,6-dien-3-ol?
The InChIKey is MPPOJEYCKMGBPA-GIJQJNRQSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-4-9-18(5-2)21(24)20(16-23-12-14-25-15-13-23)22-17(3)19-10-7-6-8-11-19/h4-11,17,20-22,24H,1-2,12-16H2,3H3/b18-9+.
What are the key properties of (4E)-4-ethenyl-1-morpholin-4-yl-2-(1-phenylethylamino)hepta-4,6-dien-3-ol?
(4E)-4-ethenyl-1-morpholin-4-yl-2-(1-phenylethylamino)hepta-4,6-dien-3-ol has a molecular weight of 342.48 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethenyl-1-morpholin-4-yl-2-(1-phenylethylamino)hepta-4,6-dien-3-ol is sourced from PubChem (CID 143270163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).