(E)-3-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(2-phenylethyl)prop-2-enamide

C24H31N3O2 — CID 44535363

IUPAC(E)-3-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(2-phenylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCCN2CCOCC2)cc1)NCCc1ccccc1
InChIInChI=1S/C24H31N3O2/c28-24(26-13-12-21-4-2-1-3-5-21)11-10-22-6-8-23(9-7-22)20-25-14-15-27-16-18-29-19-17-27/h1-11,25H,12-20H2,(H,26,28)/b11-10+
InChIKeyWDRZSGWXVQAOGA-ZHACJKMWSA-N
MW393.53 g/mol
LogP2.48
Rot. Bonds10

About (E)-3-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(2-phenylethyl)prop-2-enamide

(E)-3-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(2-phenylethyl)prop-2-enamide (PubChem CID 44535363) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is (E)-3-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(2-phenylethyl)prop-2-enamide
PubChem CID44535363
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name(E)-3-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(2-phenylethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCCN2CCOCC2)cc1)NCCc1ccccc1
InChIInChI=1S/C24H31N3O2/c28-24(26-13-12-21-4-2-1-3-5-21)11-10-22-6-8-23(9-7-22)20-25-14-15-27-16-18-29-19-17-27/h1-11,25H,12-20H2,(H,26,28)/b11-10+
InChIKeyWDRZSGWXVQAOGA-ZHACJKMWSA-N
XLogP2.48
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.48
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (E)-3-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(2-phenylethyl)prop-2-enamide (CID 44535363) is (E)-3-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(2-phenylethyl)prop-2-enamide is O=C(/C=C/c1ccc(CNCCN2CCOCC2)cc1)NCCc1ccccc1.
What is the InChIKey of (E)-3-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is WDRZSGWXVQAOGA-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H31N3O2/c28-24(26-13-12-21-4-2-1-3-5-21)11-10-22-6-8-23(9-7-22)20-25-14-15-27-16-18-29-19-17-27/h1-11,25H,12-20H2,(H,26,28)/b11-10+.
What are the key properties of (E)-3-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(2-phenylethyl)prop-2-enamide?
(E)-3-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 393.53 g/mol, XLogP of 2.48, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(2-morpholin-4-ylethylamino)methyl]phenyl]-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 44535363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).