1-(cyclopentylmethyl)-3-(2-morpholin-4-ylethyl)urea

C13H25N3O2 — CID 47217182

IUPAC1-(cyclopentylmethyl)-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCN1CCOCC1)NCC1CCCC1
InChIInChI=1S/C13H25N3O2/c17-13(15-11-12-3-1-2-4-12)14-5-6-16-7-9-18-10-8-16/h12H,1-11H2,(H2,14,15,17)
InChIKeyHYELBFJDLIVVJH-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.81
Rot. Bonds5

About 1-(cyclopentylmethyl)-3-(2-morpholin-4-ylethyl)urea

1-(cyclopentylmethyl)-3-(2-morpholin-4-ylethyl)urea (PubChem CID 47217182) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-3-(2-morpholin-4-ylethyl)urea
PubChem CID47217182
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-(cyclopentylmethyl)-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCN1CCOCC1)NCC1CCCC1
InChIInChI=1S/C13H25N3O2/c17-13(15-11-12-3-1-2-4-12)14-5-6-16-7-9-18-10-8-16/h12H,1-11H2,(H2,14,15,17)
InChIKeyHYELBFJDLIVVJH-UHFFFAOYSA-N
XLogP0.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(cyclopentylmethyl)-3-(2-morpholin-4-ylethyl)urea (CID 47217182) is 1-(cyclopentylmethyl)-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(cyclopentylmethyl)-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(cyclopentylmethyl)-3-(2-morpholin-4-ylethyl)urea is O=C(NCCN1CCOCC1)NCC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethyl)-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is HYELBFJDLIVVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c17-13(15-11-12-3-1-2-4-12)14-5-6-16-7-9-18-10-8-16/h12H,1-11H2,(H2,14,15,17).
What are the key properties of 1-(cyclopentylmethyl)-3-(2-morpholin-4-ylethyl)urea?
1-(cyclopentylmethyl)-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 255.36 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 47217182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).