1-cyclopropyl-3-(1-morpholin-4-ylpropan-2-yl)urea

C11H21N3O2 — CID 51081544

IUPAC1-cyclopropyl-3-(1-morpholin-4-ylpropan-2-yl)urea
SMILESCC(CN1CCOCC1)NC(=O)NC1CC1
InChIInChI=1S/C11H21N3O2/c1-9(8-14-4-6-16-7-5-14)12-11(15)13-10-2-3-10/h9-10H,2-8H2,1H3,(H2,12,13,15)
InChIKeyGJDCKMIUYYIMFK-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.17
Rot. Bonds4

About 1-cyclopropyl-3-(1-morpholin-4-ylpropan-2-yl)urea

1-cyclopropyl-3-(1-morpholin-4-ylpropan-2-yl)urea (PubChem CID 51081544) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-(1-morpholin-4-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(1-morpholin-4-ylpropan-2-yl)urea
PubChem CID51081544
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-cyclopropyl-3-(1-morpholin-4-ylpropan-2-yl)urea
SMILESCC(CN1CCOCC1)NC(=O)NC1CC1
InChIInChI=1S/C11H21N3O2/c1-9(8-14-4-6-16-7-5-14)12-11(15)13-10-2-3-10/h9-10H,2-8H2,1H3,(H2,12,13,15)
InChIKeyGJDCKMIUYYIMFK-UHFFFAOYSA-N
XLogP0.17
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(1-morpholin-4-ylpropan-2-yl)urea?
The IUPAC name of 1-cyclopropyl-3-(1-morpholin-4-ylpropan-2-yl)urea (CID 51081544) is 1-cyclopropyl-3-(1-morpholin-4-ylpropan-2-yl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(1-morpholin-4-ylpropan-2-yl)urea?
The canonical SMILES for 1-cyclopropyl-3-(1-morpholin-4-ylpropan-2-yl)urea is CC(CN1CCOCC1)NC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(1-morpholin-4-ylpropan-2-yl)urea?
The InChIKey is GJDCKMIUYYIMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-9(8-14-4-6-16-7-5-14)12-11(15)13-10-2-3-10/h9-10H,2-8H2,1H3,(H2,12,13,15).
What are the key properties of 1-cyclopropyl-3-(1-morpholin-4-ylpropan-2-yl)urea?
1-cyclopropyl-3-(1-morpholin-4-ylpropan-2-yl)urea has a molecular weight of 227.31 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(1-morpholin-4-ylpropan-2-yl)urea is sourced from PubChem (CID 51081544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).