(E)-2-methyl-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide

C16H22N2O2 — CID 2190798

IUPAC(E)-2-methyl-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H22N2O2/c1-14(13-15-5-3-2-4-6-15)16(19)17-7-8-18-9-11-20-12-10-18/h2-6,13H,7-12H2,1H3,(H,17,19)/b14-13+
InChIKeyMALJYCOUEZUIOC-BUHFOSPRSA-N
MW274.36 g/mol
LogP1.54
Rot. Bonds5

About (E)-2-methyl-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide

(E)-2-methyl-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide (PubChem CID 2190798) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (E)-2-methyl-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-methyl-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide
PubChem CID2190798
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(E)-2-methyl-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide
SMILESC/C(=C\c1ccccc1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H22N2O2/c1-14(13-15-5-3-2-4-6-15)16(19)17-7-8-18-9-11-20-12-10-18/h2-6,13H,7-12H2,1H3,(H,17,19)/b14-13+
InChIKeyMALJYCOUEZUIOC-BUHFOSPRSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.54
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

4-Morpholineacetamide, N-(phenylmethyl)-
CID 2958814
4-(1-Oxo-3-phenylallyl)morpholine
CID 691098
4-[(2E)-3-phenylprop-2-enoyl]piperazin-2-one
CID 753621
3-(4-Isobutylphenyl)-1-morpholino-2-propen-1-one
CID 671205
(2E)-3-(4-tert-butylphenyl)-2-cyano-N-[2-(morpholin-4-yl)ethyl]prop-2-enamide
CID 845852
3-(4-tert-butylphenyl)-N-[3-(4-morpholinyl)propyl]acrylamide
CID 2259539
N1-benzyl-N2-(3-morpholinopropyl)oxalamide
CID 2291099
(E)-2-cyano-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide;hydrochloride
CID 16196870
3-phenyl-N-[2-(3-phenylprop-2-enoylamino)ethyl]prop-2-enamide
CID 267664
3-(4-Chloro-phenyl)-N-(2-morpholin-4-yl-ethyl)-acrylamide
CID 784772
N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 885902
N-(3,3-diphenylpropyl)-1-(2-ethoxyethyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 16679589

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-2-methyl-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide (CID 2190798) is (E)-2-methyl-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-methyl-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-2-methyl-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide is C/C(=C\c1ccccc1)C(=O)NCCN1CCOCC1.
What is the InChIKey of (E)-2-methyl-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide?
The InChIKey is MALJYCOUEZUIOC-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-14(13-15-5-3-2-4-6-15)16(19)17-7-8-18-9-11-20-12-10-18/h2-6,13H,7-12H2,1H3,(H,17,19)/b14-13+.
What are the key properties of (E)-2-methyl-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide?
(E)-2-methyl-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide has a molecular weight of 274.36 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 2190798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).