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

C13H25N3O3 — CID 128943207

IUPAC1-(1-morpholin-4-ylpropan-2-yl)-3-(oxan-4-yl)urea
SMILESCC(CN1CCOCC1)NC(=O)NC1CCOCC1
InChIInChI=1S/C13H25N3O3/c1-11(10-16-4-8-19-9-5-16)14-13(17)15-12-2-6-18-7-3-12/h11-12H,2-10H2,1H3,(H2,14,15,17)
InChIKeyBJJDHEYOLLBWRR-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.19
Rot. Bonds4

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

1-(1-morpholin-4-ylpropan-2-yl)-3-(oxan-4-yl)urea (PubChem CID 128943207) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(1-morpholin-4-ylpropan-2-yl)-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-(1-morpholin-4-ylpropan-2-yl)-3-(oxan-4-yl)urea
PubChem CID128943207
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name1-(1-morpholin-4-ylpropan-2-yl)-3-(oxan-4-yl)urea
SMILESCC(CN1CCOCC1)NC(=O)NC1CCOCC1
InChIInChI=1S/C13H25N3O3/c1-11(10-16-4-8-19-9-5-16)14-13(17)15-12-2-6-18-7-3-12/h11-12H,2-10H2,1H3,(H2,14,15,17)
InChIKeyBJJDHEYOLLBWRR-UHFFFAOYSA-N
XLogP0.19
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 115579826
1-cyclopentyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 113222806
N-cyclopropyl-2-(1-morpholin-4-ylpropan-2-ylamino)propanamide
CID 54965360
1-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94171475
4-(1-morpholin-4-ylpropan-2-ylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241550
1-cyclohexyl-3-(1-morpholin-4-ylpropan-2-yl)thiourea
CID 115583267
N-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 55180342
5-(oxan-4-ylcarbamoylamino)hexanoic acid
CID 82844829
(2R)-2-amino-3-methyl-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 79011788
(2R)-2-amino-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 78972664
(2R)-2-amino-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 103813602
(2S)-2-amino-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 107568380

Frequently Asked Questions

What is the IUPAC name of 1-(1-morpholin-4-ylpropan-2-yl)-3-(oxan-4-yl)urea?
The IUPAC name of 1-(1-morpholin-4-ylpropan-2-yl)-3-(oxan-4-yl)urea (CID 128943207) is 1-(1-morpholin-4-ylpropan-2-yl)-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-(1-morpholin-4-ylpropan-2-yl)-3-(oxan-4-yl)urea?
The canonical SMILES for 1-(1-morpholin-4-ylpropan-2-yl)-3-(oxan-4-yl)urea is CC(CN1CCOCC1)NC(=O)NC1CCOCC1.
What is the InChIKey of 1-(1-morpholin-4-ylpropan-2-yl)-3-(oxan-4-yl)urea?
The InChIKey is BJJDHEYOLLBWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-11(10-16-4-8-19-9-5-16)14-13(17)15-12-2-6-18-7-3-12/h11-12H,2-10H2,1H3,(H2,14,15,17).
What are the key properties of 1-(1-morpholin-4-ylpropan-2-yl)-3-(oxan-4-yl)urea?
1-(1-morpholin-4-ylpropan-2-yl)-3-(oxan-4-yl)urea has a molecular weight of 271.36 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-morpholin-4-ylpropan-2-yl)-3-(oxan-4-yl)urea is sourced from PubChem (CID 128943207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).