1-cyclohexyl-3-[(1R)-1-phenylethyl]urea

C15H22N2O — CID 840473

IUPAC1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-12(13-8-4-2-5-9-13)16-15(18)17-14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H2,16,17,18)/t12-/m1/s1
InChIKeyLAWBJZZKFIEJKK-GFCCVEGCSA-N
MW246.35 g/mol
LogP3.38
Rot. Bonds3

About 1-cyclohexyl-3-[(1R)-1-phenylethyl]urea

1-cyclohexyl-3-[(1R)-1-phenylethyl]urea (PubChem CID 840473) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1R)-1-phenylethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
PubChem CID840473
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
SMILESC[C@@H](NC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-12(13-8-4-2-5-9-13)16-15(18)17-14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H2,16,17,18)/t12-/m1/s1
InChIKeyLAWBJZZKFIEJKK-GFCCVEGCSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 94192175
1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea
CID 47322191
1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 15231966
1-cyclohexyl-3-[(1S,2S)-2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 70268253
1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea
CID 40541623
N-cyclododecyl-N'-(1-phenylethyl)butanediamide
CID 4025526
1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea
CID 29026952
1-cyclohexyl-3-(1-phenylethyl)thiourea
CID 2788079
1-cyclohexyl-3-[(1S)-1-phenylethyl]thiourea
CID 724020
1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea
CID 38268942
1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 47128258

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(1R)-1-phenylethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(1R)-1-phenylethyl]urea (CID 840473) is 1-cyclohexyl-3-[(1R)-1-phenylethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(1R)-1-phenylethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(1R)-1-phenylethyl]urea is C[C@@H](NC(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-3-[(1R)-1-phenylethyl]urea?
The InChIKey is LAWBJZZKFIEJKK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(13-8-4-2-5-9-13)16-15(18)17-14-10-6-3-7-11-14/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3,(H2,16,17,18)/t12-/m1/s1.
What are the key properties of 1-cyclohexyl-3-[(1R)-1-phenylethyl]urea?
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea has a molecular weight of 246.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(1R)-1-phenylethyl]urea is sourced from PubChem (CID 840473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).