(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea

C10H19N3O3 — CID 60635833

IUPAC(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea
SMILESCC(C)C(NC(N)=O)C(=O)N1CCOCC1
InChIInChI=1S/C10H19N3O3/c1-7(2)8(12-10(11)15)9(14)13-3-5-16-6-4-13/h7-8H,3-6H2,1-2H3,(H3,11,12,15)
InChIKeyJFEDIACTAUIVKY-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.46
Rot. Bonds3

About (3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea

(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea (PubChem CID 60635833) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is (3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea.

Molecular Properties

Compound Name(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea
PubChem CID60635833
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea
SMILESCC(C)C(NC(N)=O)C(=O)N1CCOCC1
InChIInChI=1S/C10H19N3O3/c1-7(2)8(12-10(11)15)9(14)13-3-5-16-6-4-13/h7-8H,3-6H2,1-2H3,(H3,11,12,15)
InChIKeyJFEDIACTAUIVKY-UHFFFAOYSA-N
XLogP-0.46
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea?
The IUPAC name of (3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea (CID 60635833) is (3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea.
What is the SMILES notation for (3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea?
The canonical SMILES for (3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea is CC(C)C(NC(N)=O)C(=O)N1CCOCC1.
What is the InChIKey of (3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea?
The InChIKey is JFEDIACTAUIVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-7(2)8(12-10(11)15)9(14)13-3-5-16-6-4-13/h7-8H,3-6H2,1-2H3,(H3,11,12,15).
What are the key properties of (3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea?
(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea has a molecular weight of 229.28 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)urea is sourced from PubChem (CID 60635833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).