1-[(E)-2-(4-methylphenyl)ethenyl]-3-(3-morpholin-4-ylpropyl)urea

C17H25N3O2 — CID 108907300

IUPAC1-[(E)-2-(4-methylphenyl)ethenyl]-3-(3-morpholin-4-ylpropyl)urea
SMILESCc1ccc(/C=C/NC(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-15-3-5-16(6-4-15)7-9-19-17(21)18-8-2-10-20-11-13-22-14-12-20/h3-7,9H,2,8,10-14H2,1H3,(H2,18,19,21)/b9-7+
InChIKeyARDMLYYPTFZXAO-VQHVLOKHSA-N
MW303.41 g/mol
LogP1.99
Rot. Bonds6

About 1-[(E)-2-(4-methylphenyl)ethenyl]-3-(3-morpholin-4-ylpropyl)urea

1-[(E)-2-(4-methylphenyl)ethenyl]-3-(3-morpholin-4-ylpropyl)urea (PubChem CID 108907300) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[(E)-2-(4-methylphenyl)ethenyl]-3-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(4-methylphenyl)ethenyl]-3-(3-morpholin-4-ylpropyl)urea
PubChem CID108907300
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-[(E)-2-(4-methylphenyl)ethenyl]-3-(3-morpholin-4-ylpropyl)urea
SMILESCc1ccc(/C=C/NC(=O)NCCCN2CCOCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-15-3-5-16(6-4-15)7-9-19-17(21)18-8-2-10-20-11-13-22-14-12-20/h3-7,9H,2,8,10-14H2,1H3,(H2,18,19,21)/b9-7+
InChIKeyARDMLYYPTFZXAO-VQHVLOKHSA-N
XLogP1.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108911004
(E)-3-(4-tert-butylphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 2259539
2-amino-2-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;dihydrochloride
CID 120669272
1-ethenyl-3-(3-morpholin-4-ylpropyl)urea
CID 108909151
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
2-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 2987188
1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
CID 33427522
1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108897158
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108889443
(E)-3-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-N-(4-morpholin-4-ylbutyl)prop-2-enamide
CID 55742205
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-methylphenyl)ethenyl]-3-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-[(E)-2-(4-methylphenyl)ethenyl]-3-(3-morpholin-4-ylpropyl)urea (CID 108907300) is 1-[(E)-2-(4-methylphenyl)ethenyl]-3-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-[(E)-2-(4-methylphenyl)ethenyl]-3-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-[(E)-2-(4-methylphenyl)ethenyl]-3-(3-morpholin-4-ylpropyl)urea is Cc1ccc(/C=C/NC(=O)NCCCN2CCOCC2)cc1.
What is the InChIKey of 1-[(E)-2-(4-methylphenyl)ethenyl]-3-(3-morpholin-4-ylpropyl)urea?
The InChIKey is ARDMLYYPTFZXAO-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-15-3-5-16(6-4-15)7-9-19-17(21)18-8-2-10-20-11-13-22-14-12-20/h3-7,9H,2,8,10-14H2,1H3,(H2,18,19,21)/b9-7+.
What are the key properties of 1-[(E)-2-(4-methylphenyl)ethenyl]-3-(3-morpholin-4-ylpropyl)urea?
1-[(E)-2-(4-methylphenyl)ethenyl]-3-(3-morpholin-4-ylpropyl)urea has a molecular weight of 303.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-methylphenyl)ethenyl]-3-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 108907300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).