1-(1,2-diphenylethyl)-3-(3-hydroxypropyl)urea

C18H22N2O2 — CID 10979426

IUPAC1-(1,2-diphenylethyl)-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2O2/c21-13-7-12-19-18(22)20-17(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-6,8-11,17,21H,7,12-14H2,(H2,19,20,22)
InChIKeyZLWPRXIKLICWMA-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.65
Rot. Bonds7

About 1-(1,2-diphenylethyl)-3-(3-hydroxypropyl)urea

1-(1,2-diphenylethyl)-3-(3-hydroxypropyl)urea (PubChem CID 10979426) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(1,2-diphenylethyl)-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-(1,2-diphenylethyl)-3-(3-hydroxypropyl)urea
PubChem CID10979426
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(1,2-diphenylethyl)-3-(3-hydroxypropyl)urea
SMILESO=C(NCCCO)NC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H22N2O2/c21-13-7-12-19-18(22)20-17(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-6,8-11,17,21H,7,12-14H2,(H2,19,20,22)
InChIKeyZLWPRXIKLICWMA-UHFFFAOYSA-N
XLogP2.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(1,2-diphenylethyl)-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-(1,2-diphenylethyl)-3-(3-hydroxypropyl)urea (CID 10979426) is 1-(1,2-diphenylethyl)-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-(1,2-diphenylethyl)-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-(1,2-diphenylethyl)-3-(3-hydroxypropyl)urea is O=C(NCCCO)NC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1,2-diphenylethyl)-3-(3-hydroxypropyl)urea?
The InChIKey is ZLWPRXIKLICWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-13-7-12-19-18(22)20-17(16-10-5-2-6-11-16)14-15-8-3-1-4-9-15/h1-6,8-11,17,21H,7,12-14H2,(H2,19,20,22).
What are the key properties of 1-(1,2-diphenylethyl)-3-(3-hydroxypropyl)urea?
1-(1,2-diphenylethyl)-3-(3-hydroxypropyl)urea has a molecular weight of 298.39 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diphenylethyl)-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 10979426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).