(E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide

C24H29N2O3+ — CID 9149673

IUPAC(E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C/C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C24H28N2O3/c1-2-16-29-22-11-8-20(9-12-22)10-13-24(27)25-23(21-6-4-3-5-7-21)19-26-14-17-28-18-15-26/h2-13,23H,1,14-19H2,(H,25,27)/p+1/b13-10+/t23-/m0/s1
InChIKeyHBURKHJGTMNLDT-YYVWFHOOSA-O
MW393.51 g/mol
LogP2.04
Rot. Bonds9

About (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide

(E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide (PubChem CID 9149673) has the molecular formula C24H29N2O3+ and a molecular weight of 393.51 g/mol. Its IUPAC name is (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
PubChem CID9149673
Molecular FormulaC24H29N2O3+
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC Name(E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C/C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C24H28N2O3/c1-2-16-29-22-11-8-20(9-12-22)10-13-24(27)25-23(21-6-4-3-5-7-21)19-26-14-17-28-18-15-26/h2-13,23H,1,14-19H2,(H,25,27)/p+1/b13-10+/t23-/m0/s1
InChIKeyHBURKHJGTMNLDT-YYVWFHOOSA-O
XLogP2.04
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(1,3-benzodioxol-5-yl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide
CID 9148750
(E)-3-(3-chloro-4-methylphenyl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide
CID 9149716
(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide
CID 9149941
(E)-3-(3,5-dimethoxyphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]prop-2-enamide
CID 9144960
(E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(5-nitrofuran-2-yl)prop-2-enamide
CID 9150471
(E)-N-[(2R)-2-phenylpropyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 9301543
(E)-3-(3-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]prop-2-enamide
CID 9144458
(E)-3-(1,3-benzodioxol-5-yl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]prop-2-enamide
CID 9144488
4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
CID 9148385
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide
CID 9149533
[(2S)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8937578
N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-(trifluoromethoxy)benzamide
CID 9149566

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide (CID 9149673) is (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide is C=CCOc1ccc(/C=C/C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The InChIKey is HBURKHJGTMNLDT-YYVWFHOOSA-O. The full InChI is InChI=1S/C24H28N2O3/c1-2-16-29-22-11-8-20(9-12-22)10-13-24(27)25-23(21-6-4-3-5-7-21)19-26-14-17-28-18-15-26/h2-13,23H,1,14-19H2,(H,25,27)/p+1/b13-10+/t23-/m0/s1.
What are the key properties of (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
(E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide has a molecular weight of 393.51 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide is sourced from PubChem (CID 9149673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).