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

C15H19BrN2O2 — CID 51159430

IUPAC(E)-3-(2-bromophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Br)NCCN1CCOCC1
InChIInChI=1S/C15H19BrN2O2/c16-14-4-2-1-3-13(14)5-6-15(19)17-7-8-18-9-11-20-12-10-18/h1-6H,7-12H2,(H,17,19)/b6-5+
InChIKeyQJXZYYNWMACGDY-AATRIKPKSA-N
MW339.23 g/mol
LogP1.91
Rot. Bonds5

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

(E)-3-(2-bromophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide (PubChem CID 51159430) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is (E)-3-(2-bromophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-bromophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
PubChem CID51159430
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name(E)-3-(2-bromophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Br)NCCN1CCOCC1
InChIInChI=1S/C15H19BrN2O2/c16-14-4-2-1-3-13(14)5-6-15(19)17-7-8-18-9-11-20-12-10-18/h1-6H,7-12H2,(H,17,19)/b6-5+
InChIKeyQJXZYYNWMACGDY-AATRIKPKSA-N
XLogP1.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 51.91
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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Related Compounds

N-(3-morpholin-4-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide
CID 78784079
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
(E)-3-(1-benzofuran-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 39394629
(E)-3-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 842683
N-[2-(azepan-1-yl)ethyl]-3-(2-fluorophenyl)prop-2-enamide
CID 123154586
(E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 2319380
2-fluoren-9-ylidene-N-(2-morpholin-4-ylethyl)acetamide
CID 58938044
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(2-bromophenyl)prop-2-enamide
CID 72688858
(Z)-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2166442
(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 27396981
2-(2-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 112977303
(E)-3-naphthalen-1-yl-N-[2-(4-phenylpiperazin-1-yl)ethyl]prop-2-enamide
CID 30899954

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-bromophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-bromophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide (CID 51159430) is (E)-3-(2-bromophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-bromophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-bromophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide is O=C(/C=C/c1ccccc1Br)NCCN1CCOCC1.
What is the InChIKey of (E)-3-(2-bromophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
The InChIKey is QJXZYYNWMACGDY-AATRIKPKSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c16-14-4-2-1-3-13(14)5-6-15(19)17-7-8-18-9-11-20-12-10-18/h1-6H,7-12H2,(H,17,19)/b6-5+.
What are the key properties of (E)-3-(2-bromophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide?
(E)-3-(2-bromophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide has a molecular weight of 339.23 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-bromophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide is sourced from PubChem (CID 51159430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).