(E)-N-[(1S)-1-(2-methoxy-5-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-enamide

C22H26N2O3 — CID 11245533

IUPAC(E)-N-[(1S)-1-(2-methoxy-5-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-enamide
SMILESCOc1ccc(N2CCOCC2)cc1[C@H](C)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-17(23-22(25)11-8-18-6-4-3-5-7-18)20-16-19(9-10-21(20)26-2)24-12-14-27-15-13-24/h3-11,16-17H,12-15H2,1-2H3,(H,23,25)/b11-8+/t17-/m0/s1
InChIKeyNOAQHGWTJGRNNR-YRYLYKBFSA-N
MW366.46 g/mol
LogP3.42
Rot. Bonds6

About (E)-N-[(1S)-1-(2-methoxy-5-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-enamide

(E)-N-[(1S)-1-(2-methoxy-5-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-enamide (PubChem CID 11245533) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (E)-N-[(1S)-1-(2-methoxy-5-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1S)-1-(2-methoxy-5-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-enamide
PubChem CID11245533
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(E)-N-[(1S)-1-(2-methoxy-5-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-enamide
SMILESCOc1ccc(N2CCOCC2)cc1[C@H](C)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-17(23-22(25)11-8-18-6-4-3-5-7-18)20-16-19(9-10-21(20)26-2)24-12-14-27-15-13-24/h3-11,16-17H,12-15H2,1-2H3,(H,23,25)/b11-8+/t17-/m0/s1
InChIKeyNOAQHGWTJGRNNR-YRYLYKBFSA-N
XLogP3.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S)-1-(2-methoxy-5-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(1S)-1-(2-methoxy-5-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-enamide (CID 11245533) is (E)-N-[(1S)-1-(2-methoxy-5-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(1S)-1-(2-methoxy-5-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(1S)-1-(2-methoxy-5-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-enamide is COc1ccc(N2CCOCC2)cc1[C@H](C)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[(1S)-1-(2-methoxy-5-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is NOAQHGWTJGRNNR-YRYLYKBFSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-17(23-22(25)11-8-18-6-4-3-5-7-18)20-16-19(9-10-21(20)26-2)24-12-14-27-15-13-24/h3-11,16-17H,12-15H2,1-2H3,(H,23,25)/b11-8+/t17-/m0/s1.
What are the key properties of (E)-N-[(1S)-1-(2-methoxy-5-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-enamide?
(E)-N-[(1S)-1-(2-methoxy-5-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 366.46 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S)-1-(2-methoxy-5-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 11245533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).