1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea

C10H19N3O3 — CID 116657745

IUPAC1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea
SMILESCCNC(=O)NC(C)C(=O)N1CCOCC1
InChIInChI=1S/C10H19N3O3/c1-3-11-10(15)12-8(2)9(14)13-4-6-16-7-5-13/h8H,3-7H2,1-2H3,(H2,11,12,15)
InChIKeyYZBAEKMMXWGLQT-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.45
Rot. Bonds3

About 1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea

1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea (PubChem CID 116657745) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea
PubChem CID116657745
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea
SMILESCCNC(=O)NC(C)C(=O)N1CCOCC1
InChIInChI=1S/C10H19N3O3/c1-3-11-10(15)12-8(2)9(14)13-4-6-16-7-5-13/h8H,3-7H2,1-2H3,(H2,11,12,15)
InChIKeyYZBAEKMMXWGLQT-UHFFFAOYSA-N
XLogP-0.45
TPSA70.67 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 ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea?
The IUPAC name of 1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea (CID 116657745) is 1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea is CCNC(=O)NC(C)C(=O)N1CCOCC1.
What is the InChIKey of 1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea?
The InChIKey is YZBAEKMMXWGLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-3-11-10(15)12-8(2)9(14)13-4-6-16-7-5-13/h8H,3-7H2,1-2H3,(H2,11,12,15).
What are the key properties of 1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea?
1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea has a molecular weight of 229.28 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-morpholin-4-yl-1-oxopropan-2-yl)urea is sourced from PubChem (CID 116657745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).