1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea

C18H28N2O — CID 108888695

IUPAC1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1CCNC(=O)NCCC1CCCCC1
InChIInChI=1S/C18H28N2O/c1-15-7-5-6-10-17(15)12-14-20-18(21)19-13-11-16-8-3-2-4-9-16/h5-7,10,16H,2-4,8-9,11-14H2,1H3,(H2,19,20,21)
InChIKeyNZXFPBFLNIQJMG-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.81
Rot. Bonds6

About 1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea

1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea (PubChem CID 108888695) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea
PubChem CID108888695
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1CCNC(=O)NCCC1CCCCC1
InChIInChI=1S/C18H28N2O/c1-15-7-5-6-10-17(15)12-14-20-18(21)19-13-11-16-8-3-2-4-9-16/h5-7,10,16H,2-4,8-9,11-14H2,1H3,(H2,19,20,21)
InChIKeyNZXFPBFLNIQJMG-UHFFFAOYSA-N
XLogP3.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108888651
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 38155486
1-(2-cyclohexylethyl)-3-(2-hydroxyphenyl)urea
CID 108888519
1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea
CID 55570336
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CID 108903046
1-[2-(4-chlorophenyl)ethyl]-3-(2-cyclohexylethyl)urea
CID 108888706
3-(3-cyclopentylpropyl)-1-methyl-1-[(2-methylphenyl)methyl]urea
CID 55570048
1-[2-(2-methylphenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47373399
3-cyclohexyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 110483602
N-benzyl-3-(2-cyclohexylethylcarbamoylamino)-N-methylpropanamide
CID 86879903
1-(2-cyclohexylethyl)-3-naphthalen-1-ylurea
CID 108888599

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea (CID 108888695) is 1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea is Cc1ccccc1CCNC(=O)NCCC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea?
The InChIKey is NZXFPBFLNIQJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-7-5-6-10-17(15)12-14-20-18(21)19-13-11-16-8-3-2-4-9-16/h5-7,10,16H,2-4,8-9,11-14H2,1H3,(H2,19,20,21).
What are the key properties of 1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea?
1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea has a molecular weight of 288.44 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 108888695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).