1-(4-methylphenyl)-3-morpholin-4-ylurea

C12H17N3O2 — CID 2980919

IUPAC1-(4-methylphenyl)-3-morpholin-4-ylurea
SMILESCc1ccc(NC(=O)NN2CCOCC2)cc1
InChIInChI=1S/C12H17N3O2/c1-10-2-4-11(5-3-10)13-12(16)14-15-6-8-17-9-7-15/h2-5H,6-9H2,1H3,(H2,13,14,16)
InChIKeyCXKGXJLKQXSFTC-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.36
Rot. Bonds2

About 1-(4-methylphenyl)-3-morpholin-4-ylurea

1-(4-methylphenyl)-3-morpholin-4-ylurea (PubChem CID 2980919) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-morpholin-4-ylurea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-morpholin-4-ylurea
PubChem CID2980919
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-(4-methylphenyl)-3-morpholin-4-ylurea
SMILESCc1ccc(NC(=O)NN2CCOCC2)cc1
InChIInChI=1S/C12H17N3O2/c1-10-2-4-11(5-3-10)13-12(16)14-15-6-8-17-9-7-15/h2-5H,6-9H2,1H3,(H2,13,14,16)
InChIKeyCXKGXJLKQXSFTC-UHFFFAOYSA-N
XLogP1.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-morpholin-4-ylurea?
The IUPAC name of 1-(4-methylphenyl)-3-morpholin-4-ylurea (CID 2980919) is 1-(4-methylphenyl)-3-morpholin-4-ylurea.
What is the SMILES notation for 1-(4-methylphenyl)-3-morpholin-4-ylurea?
The canonical SMILES for 1-(4-methylphenyl)-3-morpholin-4-ylurea is Cc1ccc(NC(=O)NN2CCOCC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-morpholin-4-ylurea?
The InChIKey is CXKGXJLKQXSFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-10-2-4-11(5-3-10)13-12(16)14-15-6-8-17-9-7-15/h2-5H,6-9H2,1H3,(H2,13,14,16).
What are the key properties of 1-(4-methylphenyl)-3-morpholin-4-ylurea?
1-(4-methylphenyl)-3-morpholin-4-ylurea has a molecular weight of 235.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-morpholin-4-ylurea is sourced from PubChem (CID 2980919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).