(E)-N-benzyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-enamide

C28H28N2O3 — CID 46046494

IUPAC(E)-N-benzyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(Cc1ccc(N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C28H28N2O3/c31-27(16-13-23-7-3-1-4-8-23)30(22-25-9-5-2-6-10-25)26-14-11-24(12-15-26)21-28(32)29-17-19-33-20-18-29/h1-16H,17-22H2/b16-13+
InChIKeyNEXBIXIUDGGFJC-DTQAZKPQSA-N
MW440.54 g/mol
LogP4.33
Rot. Bonds7

About (E)-N-benzyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-enamide

(E)-N-benzyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-enamide (PubChem CID 46046494) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is (E)-N-benzyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-enamide
PubChem CID46046494
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Name(E)-N-benzyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(Cc1ccc(N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C28H28N2O3/c31-27(16-13-23-7-3-1-4-8-23)30(22-25-9-5-2-6-10-25)26-14-11-24(12-15-26)21-28(32)29-17-19-33-20-18-29/h1-16H,17-22H2/b16-13+
InChIKeyNEXBIXIUDGGFJC-DTQAZKPQSA-N
XLogP4.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 71957748
N-[[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 144741604
(E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-phenylprop-2-enamide
CID 26972711
N-[(3-fluorophenyl)methyl]-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide
CID 46046531
1-morpholin-4-yl-2-(4-phenoxyphenyl)ethanone
CID 110768044
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(propylamino)ethyl]phenyl]-3-phenylprop-2-enamide
CID 71957751
N-[3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]phenyl]-N-benzyl-3-phenylprop-2-enamide
CID 71957930
N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 71958009
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
N-benzyl-2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-phenylpropanamide
CID 108959951
1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone
CID 110411980
(E)-N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(3-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 46052629

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-benzyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-enamide (CID 46046494) is (E)-N-benzyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-benzyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-enamide is O=C(Cc1ccc(N(Cc2ccccc2)C(=O)/C=C/c2ccccc2)cc1)N1CCOCC1.
What is the InChIKey of (E)-N-benzyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-enamide?
The InChIKey is NEXBIXIUDGGFJC-DTQAZKPQSA-N. The full InChI is InChI=1S/C28H28N2O3/c31-27(16-13-23-7-3-1-4-8-23)30(22-25-9-5-2-6-10-25)26-14-11-24(12-15-26)21-28(32)29-17-19-33-20-18-29/h1-16H,17-22H2/b16-13+.
What are the key properties of (E)-N-benzyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-enamide?
(E)-N-benzyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-enamide has a molecular weight of 440.54 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 46046494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).