2-(oxan-4-yl)ethylurea

C8H16N2O2 — CID 68798130

IUPAC2-(oxan-4-yl)ethylurea
SMILESNC(=O)NCCC1CCOCC1
InChIInChI=1S/C8H16N2O2/c9-8(11)10-4-1-7-2-5-12-6-3-7/h7H,1-6H2,(H3,9,10,11)
InChIKeyYHKFHMUMLQWFSR-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.47
Rot. Bonds3

About 2-(oxan-4-yl)ethylurea

2-(oxan-4-yl)ethylurea (PubChem CID 68798130) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(oxan-4-yl)ethylurea.

Molecular Properties

Compound Name2-(oxan-4-yl)ethylurea
PubChem CID68798130
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-(oxan-4-yl)ethylurea
SMILESNC(=O)NCCC1CCOCC1
InChIInChI=1S/C8H16N2O2/c9-8(11)10-4-1-7-2-5-12-6-3-7/h7H,1-6H2,(H3,9,10,11)
InChIKeyYHKFHMUMLQWFSR-UHFFFAOYSA-N
XLogP0.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[2-(oxan-4-yl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119724786
2-(methylamino)-N-[2-(oxan-4-yl)ethyl]acetamide
CID 115152043
4-(aminomethyl)-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide
CID 115151067
ethyl 2-[2-(oxan-4-yl)ethylamino]-2-oxoacetate
CID 115142074
1-amino-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide
CID 119290205
N-[2-(oxan-4-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158324
2-(1-ethylpiperidin-4-yl)ethylurea
CID 90844616
2-(cyclobutylmethyl)-1-[2-(oxan-4-yl)ethyl]guanidine;hydroiodide
CID 119146618
2-(methylaminomethyl)-N-[2-(oxan-4-yl)ethyl]butanamide
CID 115188973
N-(2-piperidin-4-ylethyl)oxane-4-carboxamide
CID 62907394
2-amino-N-[2-(oxan-4-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119290193
2-amino-N-(2-cyclohexylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787635

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)ethylurea?
The IUPAC name of 2-(oxan-4-yl)ethylurea (CID 68798130) is 2-(oxan-4-yl)ethylurea.
What is the SMILES notation for 2-(oxan-4-yl)ethylurea?
The canonical SMILES for 2-(oxan-4-yl)ethylurea is NC(=O)NCCC1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)ethylurea?
The InChIKey is YHKFHMUMLQWFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c9-8(11)10-4-1-7-2-5-12-6-3-7/h7H,1-6H2,(H3,9,10,11).
What are the key properties of 2-(oxan-4-yl)ethylurea?
2-(oxan-4-yl)ethylurea has a molecular weight of 172.23 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)ethylurea is sourced from PubChem (CID 68798130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).