(E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide

C14H19BrN2O3 — CID 2319380

IUPAC(E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)o1)NCCCN1CCOCC1
InChIInChI=1S/C14H19BrN2O3/c15-13-4-2-12(20-13)3-5-14(18)16-6-1-7-17-8-10-19-11-9-17/h2-5H,1,6-11H2,(H,16,18)/b5-3+
InChIKeyXLUVCBOJTSJKTB-HWKANZROSA-N
MW343.22 g/mol
LogP1.89
Rot. Bonds6

About (E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide

(E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide (PubChem CID 2319380) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is (E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
PubChem CID2319380
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name(E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)o1)NCCCN1CCOCC1
InChIInChI=1S/C14H19BrN2O3/c15-13-4-2-12(20-13)3-5-14(18)16-6-1-7-17-8-10-19-11-9-17/h2-5H,1,6-11H2,(H,16,18)/b5-3+
InChIKeyXLUVCBOJTSJKTB-HWKANZROSA-N
XLogP1.89
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.89
H-Bond Donors ≤ 51
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

(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
(E)-3-(2,6-dichlorophenyl)-N-(4-morpholin-4-ylbutyl)prop-2-enamide
CID 51116604
(E)-3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 2259539
(E)-3-(2,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 90264836
(E)-3-(2-bromophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 51159430
N-(3-morpholin-4-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide
CID 78784079
(E)-3-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 2318345
(E)-3-(1-benzofuran-2-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 39394629
3-(2,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 78781003
(2E,4E)-5-(3,4-dichlorophenyl)-N-(3-morpholin-4-ylpropyl)penta-2,4-dienamide
CID 10270426
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646
(E)-3-(5-bromofuran-2-yl)-N-[2-(4-chlorophenyl)ethyl]prop-2-enamide
CID 26711709

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide (CID 2319380) is (E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide is O=C(/C=C/c1ccc(Br)o1)NCCCN1CCOCC1.
What is the InChIKey of (E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide?
The InChIKey is XLUVCBOJTSJKTB-HWKANZROSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c15-13-4-2-12(20-13)3-5-14(18)16-6-1-7-17-8-10-19-11-9-17/h2-5H,1,6-11H2,(H,16,18)/b5-3+.
What are the key properties of (E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide?
(E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide has a molecular weight of 343.22 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide is sourced from PubChem (CID 2319380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).