1,1-bis(1-morpholin-4-ylethyl)urea

C13H26N4O3 — CID 57320599

IUPAC1,1-bis(1-morpholin-4-ylethyl)urea
SMILESCC(N1CCOCC1)N(C(N)=O)C(C)N1CCOCC1
InChIInChI=1S/C13H26N4O3/c1-11(15-3-7-19-8-4-15)17(13(14)18)12(2)16-5-9-20-10-6-16/h11-12H,3-10H2,1-2H3,(H2,14,18)
InChIKeyVNUWPKKGJKMNNX-UHFFFAOYSA-N
MW286.38 g/mol
LogP-0.28
Rot. Bonds4

About 1,1-bis(1-morpholin-4-ylethyl)urea

1,1-bis(1-morpholin-4-ylethyl)urea (PubChem CID 57320599) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1,1-bis(1-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1,1-bis(1-morpholin-4-ylethyl)urea
PubChem CID57320599
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC Name1,1-bis(1-morpholin-4-ylethyl)urea
SMILESCC(N1CCOCC1)N(C(N)=O)C(C)N1CCOCC1
InChIInChI=1S/C13H26N4O3/c1-11(15-3-7-19-8-4-15)17(13(14)18)12(2)16-5-9-20-10-6-16/h11-12H,3-10H2,1-2H3,(H2,14,18)
InChIKeyVNUWPKKGJKMNNX-UHFFFAOYSA-N
XLogP-0.28
TPSA71.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(1-morpholin-4-ylethyl)urea?
The IUPAC name of 1,1-bis(1-morpholin-4-ylethyl)urea (CID 57320599) is 1,1-bis(1-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1,1-bis(1-morpholin-4-ylethyl)urea?
The canonical SMILES for 1,1-bis(1-morpholin-4-ylethyl)urea is CC(N1CCOCC1)N(C(N)=O)C(C)N1CCOCC1.
What is the InChIKey of 1,1-bis(1-morpholin-4-ylethyl)urea?
The InChIKey is VNUWPKKGJKMNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3/c1-11(15-3-7-19-8-4-15)17(13(14)18)12(2)16-5-9-20-10-6-16/h11-12H,3-10H2,1-2H3,(H2,14,18).
What are the key properties of 1,1-bis(1-morpholin-4-ylethyl)urea?
1,1-bis(1-morpholin-4-ylethyl)urea has a molecular weight of 286.38 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(1-morpholin-4-ylethyl)urea is sourced from PubChem (CID 57320599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).