1-cyclopentyl-3-(oxan-4-ylmethyl)urea

C12H22N2O2 — CID 110749296

IUPAC1-cyclopentyl-3-(oxan-4-ylmethyl)urea
SMILESO=C(NCC1CCOCC1)NC1CCCC1
InChIInChI=1S/C12H22N2O2/c15-12(14-11-3-1-2-4-11)13-9-10-5-7-16-8-6-10/h10-11H,1-9H2,(H2,13,14,15)
InChIKeyHXFYKPCKZIUKTG-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.65
Rot. Bonds3

About 1-cyclopentyl-3-(oxan-4-ylmethyl)urea

1-cyclopentyl-3-(oxan-4-ylmethyl)urea (PubChem CID 110749296) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-cyclopentyl-3-(oxan-4-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(oxan-4-ylmethyl)urea
PubChem CID110749296
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-cyclopentyl-3-(oxan-4-ylmethyl)urea
SMILESO=C(NCC1CCOCC1)NC1CCCC1
InChIInChI=1S/C12H22N2O2/c15-12(14-11-3-1-2-4-11)13-9-10-5-7-16-8-6-10/h10-11H,1-9H2,(H2,13,14,15)
InChIKeyHXFYKPCKZIUKTG-UHFFFAOYSA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-1-(oxan-4-ylmethyl)urea
CID 84593073
1-Methyl-3-(2-methylpropyl)-1-[(oxan-4-YL)methyl]urea
CID 91914980
N'-cyclopentyl-N-methyl-N-[(oxan-4-yl)methyl]urea
CID 110752124
1-Methyl-3-(3-methylbutyl)-1-[(oxan-4-YL)methyl]urea
CID 91914982
N'-isopropyl-N-methyl-N-tetrahydro-2H-pyran-4-ylmethylurea
CID 110752122
N-cyclopentyl-N'-[(4-methyloxan-4-yl)methyl]urea
CID 110875702
3-Cyclopentyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea
CID 110875729
3-Cyclopentyl-1-methyl-1-(oxolan-3-ylmethyl)urea
CID 110875840
1-[1-(2-Methylpropoxy)propan-2-yl]-3-[1-(oxan-4-yl)ethyl]urea
CID 75381384
1-[1-(Oxan-4-yl)ethyl]-3-(3,3,3-trifluoropropyl)urea
CID 71917534
1-(1-Cyclopentyl-2,2,2-trifluoroethyl)-3-[1-(oxan-4-yl)ethyl]urea
CID 86792379
1-[(1S)-1-(oxan-4-yl)ethyl]-3-(3,3,3-trifluoropropyl)urea
CID 97086261

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(oxan-4-ylmethyl)urea?
The IUPAC name of 1-cyclopentyl-3-(oxan-4-ylmethyl)urea (CID 110749296) is 1-cyclopentyl-3-(oxan-4-ylmethyl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(oxan-4-ylmethyl)urea?
The canonical SMILES for 1-cyclopentyl-3-(oxan-4-ylmethyl)urea is O=C(NCC1CCOCC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(oxan-4-ylmethyl)urea?
The InChIKey is HXFYKPCKZIUKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12(14-11-3-1-2-4-11)13-9-10-5-7-16-8-6-10/h10-11H,1-9H2,(H2,13,14,15).
What are the key properties of 1-cyclopentyl-3-(oxan-4-ylmethyl)urea?
1-cyclopentyl-3-(oxan-4-ylmethyl)urea has a molecular weight of 226.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(oxan-4-ylmethyl)urea is sourced from PubChem (CID 110749296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).