1-cyclohexyl-3-[(4-methylphenyl)methyl]urea

C15H22N2O — CID 840481

IUPAC1-cyclohexyl-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H22N2O/c1-12-7-9-13(10-8-12)11-16-15(18)17-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H2,16,17,18)
InChIKeyAPEQGNADSFIBLK-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.13
Rot. Bonds3

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

1-cyclohexyl-3-[(4-methylphenyl)methyl]urea (PubChem CID 840481) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(4-methylphenyl)methyl]urea
PubChem CID840481
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-cyclohexyl-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C15H22N2O/c1-12-7-9-13(10-8-12)11-16-15(18)17-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H2,16,17,18)
InChIKeyAPEQGNADSFIBLK-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(4-methylphenyl)methyl]urea (CID 840481) is 1-cyclohexyl-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[(4-methylphenyl)methyl]urea?
The InChIKey is APEQGNADSFIBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-7-9-13(10-8-12)11-16-15(18)17-14-5-3-2-4-6-14/h7-10,14H,2-6,11H2,1H3,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-3-[(4-methylphenyl)methyl]urea?
1-cyclohexyl-3-[(4-methylphenyl)methyl]urea has a molecular weight of 246.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 840481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).