1-(4-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea

C18H21N3O2 — CID 53250750

IUPAC1-(4-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(C3CNCCO3)cc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-2-6-15(7-3-13)20-18(22)21-16-8-4-14(5-9-16)17-12-19-10-11-23-17/h2-9,17,19H,10-12H2,1H3,(H2,20,21,22)
InChIKeyHOTOOTIQIYDCAE-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.30
Rot. Bonds3

About 1-(4-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea

1-(4-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea (PubChem CID 53250750) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea
PubChem CID53250750
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-(4-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(C3CNCCO3)cc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-2-6-15(7-3-13)20-18(22)21-16-8-4-14(5-9-16)17-12-19-10-11-23-17/h2-9,17,19H,10-12H2,1H3,(H2,20,21,22)
InChIKeyHOTOOTIQIYDCAE-UHFFFAOYSA-N
XLogP3.30
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea (CID 53250750) is 1-(4-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(C3CNCCO3)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea?
The InChIKey is HOTOOTIQIYDCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-2-6-15(7-3-13)20-18(22)21-16-8-4-14(5-9-16)17-12-19-10-11-23-17/h2-9,17,19H,10-12H2,1H3,(H2,20,21,22).
What are the key properties of 1-(4-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea?
1-(4-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea has a molecular weight of 311.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea is sourced from PubChem (CID 53250750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).