1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)urea

C16H25N3O2 — CID 38155390

IUPAC1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)urea
SMILESO=C(NCCCN1CCOCC1)NCCc1ccccc1
InChIInChI=1S/C16H25N3O2/c20-16(18-9-7-15-5-2-1-3-6-15)17-8-4-10-19-11-13-21-14-12-19/h1-3,5-6H,4,7-14H2,(H2,17,18,20)
InChIKeyXEIYHZFTNHIATI-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.25
Rot. Bonds7

About 1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)urea

1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)urea (PubChem CID 38155390) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)urea
PubChem CID38155390
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)urea
SMILESO=C(NCCCN1CCOCC1)NCCc1ccccc1
InChIInChI=1S/C16H25N3O2/c20-16(18-9-7-15-5-2-1-3-6-15)17-8-4-10-19-11-13-21-14-12-19/h1-3,5-6H,4,7-14H2,(H2,17,18,20)
InChIKeyXEIYHZFTNHIATI-UHFFFAOYSA-N
XLogP1.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.25
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)urea?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)urea (CID 38155390) is 1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)urea?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)urea is O=C(NCCCN1CCOCC1)NCCc1ccccc1.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)urea?
The InChIKey is XEIYHZFTNHIATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c20-16(18-9-7-15-5-2-1-3-6-15)17-8-4-10-19-11-13-21-14-12-19/h1-3,5-6H,4,7-14H2,(H2,17,18,20).
What are the key properties of 1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)urea?
1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)urea has a molecular weight of 291.39 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-3-(2-phenylethyl)urea is sourced from PubChem (CID 38155390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).