(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide

C16H22N2O2 — CID 2319063

IUPAC(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCCN1CCOCC1
InChIInChI=1S/C16H22N2O2/c19-16(8-7-15-5-2-1-3-6-15)17-9-4-10-18-11-13-20-14-12-18/h1-3,5-8H,4,9-14H2,(H,17,19)/b8-7+
InChIKeySGVWIFLBJXFGBC-BQYQJAHWSA-N
MW274.36 g/mol
LogP1.54
Rot. Bonds6

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

(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide (PubChem CID 2319063) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
PubChem CID2319063
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCCN1CCOCC1
InChIInChI=1S/C16H22N2O2/c19-16(8-7-15-5-2-1-3-6-15)17-9-4-10-18-11-13-20-14-12-18/h1-3,5-8H,4,9-14H2,(H,17,19)/b8-7+
InChIKeySGVWIFLBJXFGBC-BQYQJAHWSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-morpholin-4-ylpropyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51162206
(E)-3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 2259539
N-(3-morpholin-4-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide
CID 78784079
(E)-3-(2,6-dichlorophenyl)-N-(4-morpholin-4-ylbutyl)prop-2-enamide
CID 51116604
N-(3-morpholin-4-ylpropyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 51155935
(E)-3-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 2318345
(E)-3-(5-bromofuran-2-yl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 2319380
3-morpholin-4-yl-N'-(3-phenylprop-2-enoyl)propanehydrazide;hydrochloride
CID 73242622
(E)-3-(4-chlorophenyl)-N-[3-[4-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 6034169
(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
3-(3-chlorophenyl)-N-[3-[4-[3-[3-(3-chlorophenyl)prop-2-enoylamino]propyl]piperazin-1-yl]propyl]prop-2-enamide
CID 3586028

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide (CID 2319063) is (E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCCCN1CCOCC1.
What is the InChIKey of (E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide?
The InChIKey is SGVWIFLBJXFGBC-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(8-7-15-5-2-1-3-6-15)17-9-4-10-18-11-13-20-14-12-18/h1-3,5-8H,4,9-14H2,(H,17,19)/b8-7+.
What are the key properties of (E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide?
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide has a molecular weight of 274.36 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 2319063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).