1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea

C14H20N2O — CID 41098100

IUPAC1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea
SMILESC[C@@H]1CCC[C@@H](NC(=O)Nc2ccccc2)C1
InChIInChI=1S/C14H20N2O/c1-11-6-5-9-13(10-11)16-14(17)15-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H2,15,16,17)/t11-,13-/m1/s1
InChIKeyUXGLJMTVLABYEG-DGCLKSJQSA-N
MW232.33 g/mol
LogP3.39
Rot. Bonds2

About 1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea

1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea (PubChem CID 41098100) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea
PubChem CID41098100
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea
SMILESC[C@@H]1CCC[C@@H](NC(=O)Nc2ccccc2)C1
InChIInChI=1S/C14H20N2O/c1-11-6-5-9-13(10-11)16-14(17)15-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H2,15,16,17)/t11-,13-/m1/s1
InChIKeyUXGLJMTVLABYEG-DGCLKSJQSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea
CID 3710204
2-[4-[(3-methylcyclohexyl)carbamoylamino]phenyl]acetic acid
CID 61198195
1-(2-bromophenyl)-3-(3-methylcyclohexyl)urea
CID 47031785
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
1-(3-methylcyclohexyl)-3-(2-propan-2-ylphenyl)urea
CID 47032083
1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 47031918
2-anilino-N-(3-methylcyclohexyl)acetamide;hydrochloride
CID 119716294
2-[2-[[(1S,3S)-3-methylcyclohexyl]carbamoylamino]phenyl]acetamide
CID 94060517
1-(3-ethylsulfinylcyclohexyl)-3-phenylurea
CID 71977015
1-(3-methylcyclohexyl)-3-(2-phenylethyl)urea
CID 47186131
1-phenyl-3-[(1S,5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1461693
1-[2-(methoxymethyl)phenyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 94081538

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea?
The IUPAC name of 1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea (CID 41098100) is 1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea.
What is the SMILES notation for 1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea?
The canonical SMILES for 1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea is C[C@@H]1CCC[C@@H](NC(=O)Nc2ccccc2)C1.
What is the InChIKey of 1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea?
The InChIKey is UXGLJMTVLABYEG-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-6-5-9-13(10-11)16-14(17)15-12-7-3-2-4-8-12/h2-4,7-8,11,13H,5-6,9-10H2,1H3,(H2,15,16,17)/t11-,13-/m1/s1.
What are the key properties of 1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea?
1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea has a molecular weight of 232.33 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea is sourced from PubChem (CID 41098100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).