3-(3-cyclohexyloxypropyl)-1-(furan-2-ylmethyl)-1-methylurea

C16H26N2O3 — CID 52650743

IUPAC3-(3-cyclohexyloxypropyl)-1-(furan-2-ylmethyl)-1-methylurea
SMILESCN(Cc1ccco1)C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C16H26N2O3/c1-18(13-15-9-5-11-21-15)16(19)17-10-6-12-20-14-7-3-2-4-8-14/h5,9,11,14H,2-4,6-8,10,12-13H2,1H3,(H,17,19)
InChIKeyROYCYXPEPSQEIX-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.16
Rot. Bonds7

About 3-(3-cyclohexyloxypropyl)-1-(furan-2-ylmethyl)-1-methylurea

3-(3-cyclohexyloxypropyl)-1-(furan-2-ylmethyl)-1-methylurea (PubChem CID 52650743) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-(3-cyclohexyloxypropyl)-1-(furan-2-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name3-(3-cyclohexyloxypropyl)-1-(furan-2-ylmethyl)-1-methylurea
PubChem CID52650743
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name3-(3-cyclohexyloxypropyl)-1-(furan-2-ylmethyl)-1-methylurea
SMILESCN(Cc1ccco1)C(=O)NCCCOC1CCCCC1
InChIInChI=1S/C16H26N2O3/c1-18(13-15-9-5-11-21-15)16(19)17-10-6-12-20-14-7-3-2-4-8-14/h5,9,11,14H,2-4,6-8,10,12-13H2,1H3,(H,17,19)
InChIKeyROYCYXPEPSQEIX-UHFFFAOYSA-N
XLogP3.16
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclohexyloxypropyl)-1-(furan-2-ylmethyl)-1-methylurea?
The IUPAC name of 3-(3-cyclohexyloxypropyl)-1-(furan-2-ylmethyl)-1-methylurea (CID 52650743) is 3-(3-cyclohexyloxypropyl)-1-(furan-2-ylmethyl)-1-methylurea.
What is the SMILES notation for 3-(3-cyclohexyloxypropyl)-1-(furan-2-ylmethyl)-1-methylurea?
The canonical SMILES for 3-(3-cyclohexyloxypropyl)-1-(furan-2-ylmethyl)-1-methylurea is CN(Cc1ccco1)C(=O)NCCCOC1CCCCC1.
What is the InChIKey of 3-(3-cyclohexyloxypropyl)-1-(furan-2-ylmethyl)-1-methylurea?
The InChIKey is ROYCYXPEPSQEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-18(13-15-9-5-11-21-15)16(19)17-10-6-12-20-14-7-3-2-4-8-14/h5,9,11,14H,2-4,6-8,10,12-13H2,1H3,(H,17,19).
What are the key properties of 3-(3-cyclohexyloxypropyl)-1-(furan-2-ylmethyl)-1-methylurea?
3-(3-cyclohexyloxypropyl)-1-(furan-2-ylmethyl)-1-methylurea has a molecular weight of 294.39 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclohexyloxypropyl)-1-(furan-2-ylmethyl)-1-methylurea is sourced from PubChem (CID 52650743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).