3-cyclohexyl-1-methyl-1-phenylurea

C14H20N2O — CID 974401

IUPAC3-cyclohexyl-1-methyl-1-phenylurea
SMILESCN(C(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-16(13-10-6-3-7-11-13)14(17)15-12-8-4-2-5-9-12/h3,6-7,10-12H,2,4-5,8-9H2,1H3,(H,15,17)
InChIKeyGTWGLMQCTTWBSW-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.17
Rot. Bonds2

About 3-cyclohexyl-1-methyl-1-phenylurea

3-cyclohexyl-1-methyl-1-phenylurea (PubChem CID 974401) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-1-phenylurea.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-1-phenylurea
PubChem CID974401
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-cyclohexyl-1-methyl-1-phenylurea
SMILESCN(C(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C14H20N2O/c1-16(13-10-6-3-7-11-13)14(17)15-12-8-4-2-5-9-12/h3,6-7,10-12H,2,4-5,8-9H2,1H3,(H,15,17)
InChIKeyGTWGLMQCTTWBSW-UHFFFAOYSA-N
XLogP3.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-1-phenylurea?
The IUPAC name of 3-cyclohexyl-1-methyl-1-phenylurea (CID 974401) is 3-cyclohexyl-1-methyl-1-phenylurea.
What is the SMILES notation for 3-cyclohexyl-1-methyl-1-phenylurea?
The canonical SMILES for 3-cyclohexyl-1-methyl-1-phenylurea is CN(C(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of 3-cyclohexyl-1-methyl-1-phenylurea?
The InChIKey is GTWGLMQCTTWBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16(13-10-6-3-7-11-13)14(17)15-12-8-4-2-5-9-12/h3,6-7,10-12H,2,4-5,8-9H2,1H3,(H,15,17).
What are the key properties of 3-cyclohexyl-1-methyl-1-phenylurea?
3-cyclohexyl-1-methyl-1-phenylurea has a molecular weight of 232.33 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methyl-1-phenylurea is sourced from PubChem (CID 974401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).