(4-methyl-3-phenylphenyl) N-cyclohexylcarbamate

C20H23NO2 — CID 58801126

IUPAC(4-methyl-3-phenylphenyl) N-cyclohexylcarbamate
SMILESCc1ccc(OC(=O)NC2CCCCC2)cc1-c1ccccc1
InChIInChI=1S/C20H23NO2/c1-15-12-13-18(14-19(15)16-8-4-2-5-9-16)23-20(22)21-17-10-6-3-7-11-17/h2,4-5,8-9,12-14,17H,3,6-7,10-11H2,1H3,(H,21,22)
InChIKeyLCFWDTNMURZJSR-UHFFFAOYSA-N
MW309.41 g/mol
LogP5.08
Rot. Bonds3

About (4-methyl-3-phenylphenyl) N-cyclohexylcarbamate

(4-methyl-3-phenylphenyl) N-cyclohexylcarbamate (PubChem CID 58801126) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (4-methyl-3-phenylphenyl) N-cyclohexylcarbamate.

Molecular Properties

Compound Name(4-methyl-3-phenylphenyl) N-cyclohexylcarbamate
PubChem CID58801126
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(4-methyl-3-phenylphenyl) N-cyclohexylcarbamate
SMILESCc1ccc(OC(=O)NC2CCCCC2)cc1-c1ccccc1
InChIInChI=1S/C20H23NO2/c1-15-12-13-18(14-19(15)16-8-4-2-5-9-16)23-20(22)21-17-10-6-3-7-11-17/h2,4-5,8-9,12-14,17H,3,6-7,10-11H2,1H3,(H,21,22)
InChIKeyLCFWDTNMURZJSR-UHFFFAOYSA-N
XLogP5.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-phenylphenyl) N-cyclohexylcarbamate?
The IUPAC name of (4-methyl-3-phenylphenyl) N-cyclohexylcarbamate (CID 58801126) is (4-methyl-3-phenylphenyl) N-cyclohexylcarbamate.
What is the SMILES notation for (4-methyl-3-phenylphenyl) N-cyclohexylcarbamate?
The canonical SMILES for (4-methyl-3-phenylphenyl) N-cyclohexylcarbamate is Cc1ccc(OC(=O)NC2CCCCC2)cc1-c1ccccc1.
What is the InChIKey of (4-methyl-3-phenylphenyl) N-cyclohexylcarbamate?
The InChIKey is LCFWDTNMURZJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-15-12-13-18(14-19(15)16-8-4-2-5-9-16)23-20(22)21-17-10-6-3-7-11-17/h2,4-5,8-9,12-14,17H,3,6-7,10-11H2,1H3,(H,21,22).
What are the key properties of (4-methyl-3-phenylphenyl) N-cyclohexylcarbamate?
(4-methyl-3-phenylphenyl) N-cyclohexylcarbamate has a molecular weight of 309.41 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-phenylphenyl) N-cyclohexylcarbamate is sourced from PubChem (CID 58801126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).