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

C18H21N3O2 — CID 53250592

IUPAC1-(3-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(C3CNCCO3)cc2)c1
InChIInChI=1S/C18H21N3O2/c1-13-3-2-4-16(11-13)21-18(22)20-15-7-5-14(6-8-15)17-12-19-9-10-23-17/h2-8,11,17,19H,9-10,12H2,1H3,(H2,20,21,22)
InChIKeyOEKUFHBJXGEOIL-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.30
Rot. Bonds3

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

1-(3-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea (PubChem CID 53250592) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea
PubChem CID53250592
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-(3-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(C3CNCCO3)cc2)c1
InChIInChI=1S/C18H21N3O2/c1-13-3-2-4-16(11-13)21-18(22)20-15-7-5-14(6-8-15)17-12-19-9-10-23-17/h2-8,11,17,19H,9-10,12H2,1H3,(H2,20,21,22)
InChIKeyOEKUFHBJXGEOIL-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-(3-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea?
The IUPAC name of 1-(3-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea (CID 53250592) is 1-(3-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea?
The canonical SMILES for 1-(3-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(C3CNCCO3)cc2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea?
The InChIKey is OEKUFHBJXGEOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-3-2-4-16(11-13)21-18(22)20-15-7-5-14(6-8-15)17-12-19-9-10-23-17/h2-8,11,17,19H,9-10,12H2,1H3,(H2,20,21,22).
What are the key properties of 1-(3-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea?
1-(3-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-(3-methylphenyl)-3-(4-morpholin-2-ylphenyl)urea is sourced from PubChem (CID 53250592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).