1-(furan-2-yl)-3-(2-methylcyclohexyl)urea

C12H18N2O2 — CID 108868492

IUPAC1-(furan-2-yl)-3-(2-methylcyclohexyl)urea
SMILESCC1CCCCC1NC(=O)Nc1ccco1
InChIInChI=1S/C12H18N2O2/c1-9-5-2-3-6-10(9)13-12(15)14-11-7-4-8-16-11/h4,7-10H,2-3,5-6H2,1H3,(H2,13,14,15)
InChIKeyMTGIAQKXNMRBOB-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.98
Rot. Bonds2

About 1-(furan-2-yl)-3-(2-methylcyclohexyl)urea

1-(furan-2-yl)-3-(2-methylcyclohexyl)urea (PubChem CID 108868492) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(2-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(2-methylcyclohexyl)urea
PubChem CID108868492
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(furan-2-yl)-3-(2-methylcyclohexyl)urea
SMILESCC1CCCCC1NC(=O)Nc1ccco1
InChIInChI=1S/C12H18N2O2/c1-9-5-2-3-6-10(9)13-12(15)14-11-7-4-8-16-11/h4,7-10H,2-3,5-6H2,1H3,(H2,13,14,15)
InChIKeyMTGIAQKXNMRBOB-UHFFFAOYSA-N
XLogP2.98
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 40784836
1-benzhydryl-3-(2-methylcyclohexyl)urea
CID 108867484
4-[(2-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61191186
1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 40636375
2-(furan-2-ylmethylamino)-N-(2-methylcyclohexyl)acetamide
CID 54773430
N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9404333
1-(2-methylcyclohexyl)-3-(2-methyl-6-propan-2-ylphenyl)urea
CID 47032242
1-(4-aminophenyl)-3-(2-methylcyclopentyl)urea
CID 63279412
1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 94081568
1-(2,4-dimethylphenyl)-3-(2-methylcyclohexyl)urea
CID 17265372
[(2S)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] (E)-3-(furan-2-yl)prop-2-enoate
CID 129419379
2-chloro-N-(2-methylcyclohexyl)furan-3-carboxamide
CID 106685279

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(2-methylcyclohexyl)urea?
The IUPAC name of 1-(furan-2-yl)-3-(2-methylcyclohexyl)urea (CID 108868492) is 1-(furan-2-yl)-3-(2-methylcyclohexyl)urea.
What is the SMILES notation for 1-(furan-2-yl)-3-(2-methylcyclohexyl)urea?
The canonical SMILES for 1-(furan-2-yl)-3-(2-methylcyclohexyl)urea is CC1CCCCC1NC(=O)Nc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-(2-methylcyclohexyl)urea?
The InChIKey is MTGIAQKXNMRBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-5-2-3-6-10(9)13-12(15)14-11-7-4-8-16-11/h4,7-10H,2-3,5-6H2,1H3,(H2,13,14,15).
What are the key properties of 1-(furan-2-yl)-3-(2-methylcyclohexyl)urea?
1-(furan-2-yl)-3-(2-methylcyclohexyl)urea has a molecular weight of 222.29 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(2-methylcyclohexyl)urea is sourced from PubChem (CID 108868492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).