1-methyl-1-(3-morpholin-2-ylphenyl)urea

C12H17N3O2 — CID 117342534

IUPAC1-methyl-1-(3-morpholin-2-ylphenyl)urea
SMILESCN(C(N)=O)c1cccc(C2CNCCO2)c1
InChIInChI=1S/C12H17N3O2/c1-15(12(13)16)10-4-2-3-9(7-10)11-8-14-5-6-17-11/h2-4,7,11,14H,5-6,8H2,1H3,(H2,13,16)
InChIKeyPVWPRTUZNMFHJT-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.86
Rot. Bonds2

About 1-methyl-1-(3-morpholin-2-ylphenyl)urea

1-methyl-1-(3-morpholin-2-ylphenyl)urea (PubChem CID 117342534) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-methyl-1-(3-morpholin-2-ylphenyl)urea.

Molecular Properties

Compound Name1-methyl-1-(3-morpholin-2-ylphenyl)urea
PubChem CID117342534
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-methyl-1-(3-morpholin-2-ylphenyl)urea
SMILESCN(C(N)=O)c1cccc(C2CNCCO2)c1
InChIInChI=1S/C12H17N3O2/c1-15(12(13)16)10-4-2-3-9(7-10)11-8-14-5-6-17-11/h2-4,7,11,14H,5-6,8H2,1H3,(H2,13,16)
InChIKeyPVWPRTUZNMFHJT-UHFFFAOYSA-N
XLogP0.86
TPSA67.59 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 ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(3-morpholin-2-ylphenyl)urea?
The IUPAC name of 1-methyl-1-(3-morpholin-2-ylphenyl)urea (CID 117342534) is 1-methyl-1-(3-morpholin-2-ylphenyl)urea.
What is the SMILES notation for 1-methyl-1-(3-morpholin-2-ylphenyl)urea?
The canonical SMILES for 1-methyl-1-(3-morpholin-2-ylphenyl)urea is CN(C(N)=O)c1cccc(C2CNCCO2)c1.
What is the InChIKey of 1-methyl-1-(3-morpholin-2-ylphenyl)urea?
The InChIKey is PVWPRTUZNMFHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15(12(13)16)10-4-2-3-9(7-10)11-8-14-5-6-17-11/h2-4,7,11,14H,5-6,8H2,1H3,(H2,13,16).
What are the key properties of 1-methyl-1-(3-morpholin-2-ylphenyl)urea?
1-methyl-1-(3-morpholin-2-ylphenyl)urea has a molecular weight of 235.29 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(3-morpholin-2-ylphenyl)urea is sourced from PubChem (CID 117342534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).