1-cyclohexyl-3-(furan-3-ylmethyl)urea

C12H18N2O2 — CID 47236948

IUPAC1-cyclohexyl-3-(furan-3-ylmethyl)urea
SMILESO=C(NCc1ccoc1)NC1CCCCC1
InChIInChI=1S/C12H18N2O2/c15-12(13-8-10-6-7-16-9-10)14-11-4-2-1-3-5-11/h6-7,9,11H,1-5,8H2,(H2,13,14,15)
InChIKeyXGUWXDAPBMFMSB-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.41
Rot. Bonds3

About 1-cyclohexyl-3-(furan-3-ylmethyl)urea

1-cyclohexyl-3-(furan-3-ylmethyl)urea (PubChem CID 47236948) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-cyclohexyl-3-(furan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(furan-3-ylmethyl)urea
PubChem CID47236948
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-cyclohexyl-3-(furan-3-ylmethyl)urea
SMILESO=C(NCc1ccoc1)NC1CCCCC1
InChIInChI=1S/C12H18N2O2/c15-12(13-8-10-6-7-16-9-10)14-11-4-2-1-3-5-11/h6-7,9,11H,1-5,8H2,(H2,13,14,15)
InChIKeyXGUWXDAPBMFMSB-UHFFFAOYSA-N
XLogP2.41
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 106320151
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CID 115746985
1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea
CID 54936547
1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea
CID 62500632
1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 17456252
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 2932925
1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea
CID 108884395
4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide
CID 86992768
1-cycloheptyl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea
CID 71894125
4-(cyclopentylsulfamoyl)-N-(furan-3-ylmethyl)benzamide
CID 70751779
3-[(cyclohexylcarbamoylamino)methyl]benzoic acid
CID 60894600

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(furan-3-ylmethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(furan-3-ylmethyl)urea (CID 47236948) is 1-cyclohexyl-3-(furan-3-ylmethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(furan-3-ylmethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(furan-3-ylmethyl)urea is O=C(NCc1ccoc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(furan-3-ylmethyl)urea?
The InChIKey is XGUWXDAPBMFMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c15-12(13-8-10-6-7-16-9-10)14-11-4-2-1-3-5-11/h6-7,9,11H,1-5,8H2,(H2,13,14,15).
What are the key properties of 1-cyclohexyl-3-(furan-3-ylmethyl)urea?
1-cyclohexyl-3-(furan-3-ylmethyl)urea has a molecular weight of 222.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(furan-3-ylmethyl)urea is sourced from PubChem (CID 47236948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).