1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea

C16H24N2O — CID 94192175

IUPAC1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
SMILESCc1ccc([C@@H](C)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H24N2O/c1-12-8-10-14(11-9-12)13(2)17-16(19)18-15-6-4-3-5-7-15/h8-11,13,15H,3-7H2,1-2H3,(H2,17,18,19)/t13-/m1/s1
InChIKeyAYWUFQPZGSHWOD-CYBMUJFWSA-N
MW260.38 g/mol
LogP3.69
Rot. Bonds3

About 1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea

1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea (PubChem CID 94192175) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
PubChem CID94192175
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
SMILESCc1ccc([C@@H](C)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H24N2O/c1-12-8-10-14(11-9-12)13(2)17-16(19)18-15-6-4-3-5-7-15/h8-11,13,15H,3-7H2,1-2H3,(H2,17,18,19)/t13-/m1/s1
InChIKeyAYWUFQPZGSHWOD-CYBMUJFWSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea
CID 47322191
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-cyclopentyl-3-[(1R)-1-(4-methylsulfanylphenyl)ethyl]urea
CID 38268942
1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 47128258
1-cyclohexyl-3-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]urea
CID 100744989
N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94148286
1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]urea
CID 45153648
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea
CID 29026952
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-cyclohexylurea
CID 6466690
1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 94799266
1-cyclohexyl-3-[1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 47010316

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea (CID 94192175) is 1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea is Cc1ccc([C@@H](C)NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea?
The InChIKey is AYWUFQPZGSHWOD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-8-10-14(11-9-12)13(2)17-16(19)18-15-6-4-3-5-7-15/h8-11,13,15H,3-7H2,1-2H3,(H2,17,18,19)/t13-/m1/s1.
What are the key properties of 1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea?
1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea has a molecular weight of 260.38 g/mol, XLogP of 3.69, 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-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 94192175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).