(E)-N-[[2-(3-morpholin-4-ylpropoxy)phenyl]methyl]-3-phenyl-N-(2-phenylethyl)prop-2-enamide

C31H36N2O3 — CID 22764059

IUPAC(E)-N-[[2-(3-morpholin-4-ylpropoxy)phenyl]methyl]-3-phenyl-N-(2-phenylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N(CCc1ccccc1)Cc1ccccc1OCCCN1CCOCC1
InChIInChI=1S/C31H36N2O3/c34-31(17-16-27-10-3-1-4-11-27)33(20-18-28-12-5-2-6-13-28)26-29-14-7-8-15-30(29)36-23-9-19-32-21-24-35-25-22-32/h1-8,10-17H,9,18-26H2/b17-16+
InChIKeyYRTZQVBGWIULEC-WUKNDPDISA-N
MW484.64 g/mol
LogP5.07
Rot. Bonds12

About (E)-N-[[2-(3-morpholin-4-ylpropoxy)phenyl]methyl]-3-phenyl-N-(2-phenylethyl)prop-2-enamide

(E)-N-[[2-(3-morpholin-4-ylpropoxy)phenyl]methyl]-3-phenyl-N-(2-phenylethyl)prop-2-enamide (PubChem CID 22764059) has the molecular formula C31H36N2O3 and a molecular weight of 484.64 g/mol. Its IUPAC name is (E)-N-[[2-(3-morpholin-4-ylpropoxy)phenyl]methyl]-3-phenyl-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[2-(3-morpholin-4-ylpropoxy)phenyl]methyl]-3-phenyl-N-(2-phenylethyl)prop-2-enamide
PubChem CID22764059
Molecular FormulaC31H36N2O3
Molecular Weight484.64 g/mol
Exact Mass484.27
IUPAC Name(E)-N-[[2-(3-morpholin-4-ylpropoxy)phenyl]methyl]-3-phenyl-N-(2-phenylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N(CCc1ccccc1)Cc1ccccc1OCCCN1CCOCC1
InChIInChI=1S/C31H36N2O3/c34-31(17-16-27-10-3-1-4-11-27)33(20-18-28-12-5-2-6-13-28)26-29-14-7-8-15-30(29)36-23-9-19-32-21-24-35-25-22-32/h1-8,10-17H,9,18-26H2/b17-16+
InChIKeyYRTZQVBGWIULEC-WUKNDPDISA-N
XLogP5.07
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-(4-phenylbutyl)phenoxy]ethyl]morpholine
CID 15389030
(E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 6012187
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
(E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide
CID 6004837
(E)-N-(3-morpholin-4-ylpropyl)-3-(3-phenylphenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 56564244
N-(furan-2-ylmethyl)-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 772554
(E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one
CID 101157228
4-[3-(2-phenylmethoxyphenyl)propyl]morpholine
CID 170869183
3-[benzyl-[3-(4-morpholin-4-ylphenyl)prop-2-enoyl]amino]propanamide
CID 72689409
N-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-N,3-diphenylprop-2-enamide
CID 54412291
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[2-(3-morpholin-4-ylpropoxy)phenyl]methyl]-3-phenyl-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (E)-N-[[2-(3-morpholin-4-ylpropoxy)phenyl]methyl]-3-phenyl-N-(2-phenylethyl)prop-2-enamide (CID 22764059) is (E)-N-[[2-(3-morpholin-4-ylpropoxy)phenyl]methyl]-3-phenyl-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[[2-(3-morpholin-4-ylpropoxy)phenyl]methyl]-3-phenyl-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (E)-N-[[2-(3-morpholin-4-ylpropoxy)phenyl]methyl]-3-phenyl-N-(2-phenylethyl)prop-2-enamide is O=C(/C=C/c1ccccc1)N(CCc1ccccc1)Cc1ccccc1OCCCN1CCOCC1.
What is the InChIKey of (E)-N-[[2-(3-morpholin-4-ylpropoxy)phenyl]methyl]-3-phenyl-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is YRTZQVBGWIULEC-WUKNDPDISA-N. The full InChI is InChI=1S/C31H36N2O3/c34-31(17-16-27-10-3-1-4-11-27)33(20-18-28-12-5-2-6-13-28)26-29-14-7-8-15-30(29)36-23-9-19-32-21-24-35-25-22-32/h1-8,10-17H,9,18-26H2/b17-16+.
What are the key properties of (E)-N-[[2-(3-morpholin-4-ylpropoxy)phenyl]methyl]-3-phenyl-N-(2-phenylethyl)prop-2-enamide?
(E)-N-[[2-(3-morpholin-4-ylpropoxy)phenyl]methyl]-3-phenyl-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 484.64 g/mol, XLogP of 5.07, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[2-(3-morpholin-4-ylpropoxy)phenyl]methyl]-3-phenyl-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 22764059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).