1-(furan-3-ylmethyl)-3-(1-morpholin-4-ylpropan-2-yl)urea

C13H21N3O3 — CID 51084514

IUPAC1-(furan-3-ylmethyl)-3-(1-morpholin-4-ylpropan-2-yl)urea
SMILESCC(CN1CCOCC1)NC(=O)NCc1ccoc1
InChIInChI=1S/C13H21N3O3/c1-11(9-16-3-6-18-7-4-16)15-13(17)14-8-12-2-5-19-10-12/h2,5,10-11H,3-4,6-9H2,1H3,(H2,14,15,17)
InChIKeyHNZLSKGTBBJQQS-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.80
Rot. Bonds5

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

1-(furan-3-ylmethyl)-3-(1-morpholin-4-ylpropan-2-yl)urea (PubChem CID 51084514) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3-(1-morpholin-4-ylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3-(1-morpholin-4-ylpropan-2-yl)urea
PubChem CID51084514
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name1-(furan-3-ylmethyl)-3-(1-morpholin-4-ylpropan-2-yl)urea
SMILESCC(CN1CCOCC1)NC(=O)NCc1ccoc1
InChIInChI=1S/C13H21N3O3/c1-11(9-16-3-6-18-7-4-16)15-13(17)14-8-12-2-5-19-10-12/h2,5,10-11H,3-4,6-9H2,1H3,(H2,14,15,17)
InChIKeyHNZLSKGTBBJQQS-UHFFFAOYSA-N
XLogP0.80
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3-(1-morpholin-4-ylpropan-2-yl)urea?
The IUPAC name of 1-(furan-3-ylmethyl)-3-(1-morpholin-4-ylpropan-2-yl)urea (CID 51084514) is 1-(furan-3-ylmethyl)-3-(1-morpholin-4-ylpropan-2-yl)urea.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3-(1-morpholin-4-ylpropan-2-yl)urea?
The canonical SMILES for 1-(furan-3-ylmethyl)-3-(1-morpholin-4-ylpropan-2-yl)urea is CC(CN1CCOCC1)NC(=O)NCc1ccoc1.
What is the InChIKey of 1-(furan-3-ylmethyl)-3-(1-morpholin-4-ylpropan-2-yl)urea?
The InChIKey is HNZLSKGTBBJQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-11(9-16-3-6-18-7-4-16)15-13(17)14-8-12-2-5-19-10-12/h2,5,10-11H,3-4,6-9H2,1H3,(H2,14,15,17).
What are the key properties of 1-(furan-3-ylmethyl)-3-(1-morpholin-4-ylpropan-2-yl)urea?
1-(furan-3-ylmethyl)-3-(1-morpholin-4-ylpropan-2-yl)urea has a molecular weight of 267.33 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-3-(1-morpholin-4-ylpropan-2-yl)urea is sourced from PubChem (CID 51084514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).