1-(2-morpholin-4-ylethyl)-3-(oxan-4-ylidenemethyl)urea

C13H23N3O3 — CID 108913180

IUPAC1-(2-morpholin-4-ylethyl)-3-(oxan-4-ylidenemethyl)urea
SMILESO=C(NC=C1CCOCC1)NCCN1CCOCC1
InChIInChI=1S/C13H23N3O3/c17-13(15-11-12-1-7-18-8-2-12)14-3-4-16-5-9-19-10-6-16/h11H,1-10H2,(H2,14,15,17)
InChIKeyBLQPSZRFCCUOMA-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.31
Rot. Bonds4

About 1-(2-morpholin-4-ylethyl)-3-(oxan-4-ylidenemethyl)urea

1-(2-morpholin-4-ylethyl)-3-(oxan-4-ylidenemethyl)urea (PubChem CID 108913180) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-(oxan-4-ylidenemethyl)urea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-(oxan-4-ylidenemethyl)urea
PubChem CID108913180
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-(2-morpholin-4-ylethyl)-3-(oxan-4-ylidenemethyl)urea
SMILESO=C(NC=C1CCOCC1)NCCN1CCOCC1
InChIInChI=1S/C13H23N3O3/c17-13(15-11-12-1-7-18-8-2-12)14-3-4-16-5-9-19-10-6-16/h11H,1-10H2,(H2,14,15,17)
InChIKeyBLQPSZRFCCUOMA-UHFFFAOYSA-N
XLogP0.31
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-(oxan-4-ylidenemethyl)urea?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-(oxan-4-ylidenemethyl)urea (CID 108913180) is 1-(2-morpholin-4-ylethyl)-3-(oxan-4-ylidenemethyl)urea.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-(oxan-4-ylidenemethyl)urea?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-(oxan-4-ylidenemethyl)urea is O=C(NC=C1CCOCC1)NCCN1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-(oxan-4-ylidenemethyl)urea?
The InChIKey is BLQPSZRFCCUOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c17-13(15-11-12-1-7-18-8-2-12)14-3-4-16-5-9-19-10-6-16/h11H,1-10H2,(H2,14,15,17).
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-(oxan-4-ylidenemethyl)urea?
1-(2-morpholin-4-ylethyl)-3-(oxan-4-ylidenemethyl)urea has a molecular weight of 269.34 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-(oxan-4-ylidenemethyl)urea is sourced from PubChem (CID 108913180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).