(E)-3-(4-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)prop-2-enamide

C17H23BrN2O2 — CID 6212780

IUPAC(E)-3-(4-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)prop-2-enamide
SMILESCC(C)(CNC(=O)/C=C/c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C17H23BrN2O2/c1-17(2,20-9-11-22-12-10-20)13-19-16(21)8-5-14-3-6-15(18)7-4-14/h3-8H,9-13H2,1-2H3,(H,19,21)/b8-5+
InChIKeyWOVZSQXOFDTPAN-VMPITWQZSA-N
MW367.29 g/mol
LogP2.69
Rot. Bonds5

About (E)-3-(4-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)prop-2-enamide

(E)-3-(4-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)prop-2-enamide (PubChem CID 6212780) has the molecular formula C17H23BrN2O2 and a molecular weight of 367.29 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)prop-2-enamide
PubChem CID6212780
Molecular FormulaC17H23BrN2O2
Molecular Weight367.29 g/mol
Exact Mass366.09
IUPAC Name(E)-3-(4-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)prop-2-enamide
SMILESCC(C)(CNC(=O)/C=C/c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C17H23BrN2O2/c1-17(2,20-9-11-22-12-10-20)13-19-16(21)8-5-14-3-6-15(18)7-4-14/h3-8H,9-13H2,1-2H3,(H,19,21)/b8-5+
InChIKeyWOVZSQXOFDTPAN-VMPITWQZSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)prop-2-enamide (CID 6212780) is (E)-3-(4-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)prop-2-enamide is CC(C)(CNC(=O)/C=C/c1ccc(Br)cc1)N1CCOCC1.
What is the InChIKey of (E)-3-(4-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)prop-2-enamide?
The InChIKey is WOVZSQXOFDTPAN-VMPITWQZSA-N. The full InChI is InChI=1S/C17H23BrN2O2/c1-17(2,20-9-11-22-12-10-20)13-19-16(21)8-5-14-3-6-15(18)7-4-14/h3-8H,9-13H2,1-2H3,(H,19,21)/b8-5+.
What are the key properties of (E)-3-(4-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)prop-2-enamide?
(E)-3-(4-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)prop-2-enamide has a molecular weight of 367.29 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)prop-2-enamide is sourced from PubChem (CID 6212780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).