(Z)-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide

C15H19N3O4 — CID 2166442

IUPAC(Z)-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCN1CCOCC1
InChIInChI=1S/C15H19N3O4/c19-15(16-7-8-17-9-11-22-12-10-17)6-3-13-1-4-14(5-2-13)18(20)21/h1-6H,7-12H2,(H,16,19)/b6-3-
InChIKeyLTASYXQLEPMGKY-UTCJRWHESA-N
MW305.33 g/mol
LogP1.06
Rot. Bonds6

About (Z)-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide

(Z)-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide (PubChem CID 2166442) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is (Z)-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide
PubChem CID2166442
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name(Z)-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide
SMILESO=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCN1CCOCC1
InChIInChI=1S/C15H19N3O4/c19-15(16-7-8-17-9-11-22-12-10-17)6-3-13-1-4-14(5-2-13)18(20)21/h1-6H,7-12H2,(H,16,19)/b6-3-
InChIKeyLTASYXQLEPMGKY-UTCJRWHESA-N
XLogP1.06
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(4-nitrophenyl)-N-[2-[4-[(Z)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
CID 92966725
(E)-3-(4-nitrophenyl)-N-[3-[4-[3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 6075459
N-(2-morpholin-4-ium-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide
CID 4744532
(E)-3-(4-nitrophenyl)-N-propylprop-2-enamide
CID 6259038
(E)-3-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 842683
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
(E)-3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 2259539
(Z)-N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 16903111
N-(3-morpholin-4-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide
CID 78784079
(E)-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 90491731
(E)-3-(4-nitrophenyl)-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]prop-2-enamide
CID 90613842
3-morpholin-4-yl-N'-[3-(3-nitrophenyl)prop-2-enoyl]propanehydrazide
CID 3887440

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide?
The IUPAC name of (Z)-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide (CID 2166442) is (Z)-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide is O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCN1CCOCC1.
What is the InChIKey of (Z)-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide?
The InChIKey is LTASYXQLEPMGKY-UTCJRWHESA-N. The full InChI is InChI=1S/C15H19N3O4/c19-15(16-7-8-17-9-11-22-12-10-17)6-3-13-1-4-14(5-2-13)18(20)21/h1-6H,7-12H2,(H,16,19)/b6-3-.
What are the key properties of (Z)-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide?
(Z)-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide has a molecular weight of 305.33 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-morpholin-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide is sourced from PubChem (CID 2166442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).