cyclohexyl N-[2-(4-phenylphenyl)propyl]carbamate

C22H27NO2 — CID 59093478

IUPACcyclohexyl N-[2-(4-phenylphenyl)propyl]carbamate
SMILESCC(CNC(=O)OC1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H27NO2/c1-17(16-23-22(24)25-21-10-6-3-7-11-21)18-12-14-20(15-13-18)19-8-4-2-5-9-19/h2,4-5,8-9,12-15,17,21H,3,6-7,10-11,16H2,1H3,(H,23,24)
InChIKeyCTYBNPDPOQJJIR-UHFFFAOYSA-N
MW337.46 g/mol
LogP5.52
Rot. Bonds5

About cyclohexyl N-[2-(4-phenylphenyl)propyl]carbamate

cyclohexyl N-[2-(4-phenylphenyl)propyl]carbamate (PubChem CID 59093478) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is cyclohexyl N-[2-(4-phenylphenyl)propyl]carbamate.

Molecular Properties

Compound Namecyclohexyl N-[2-(4-phenylphenyl)propyl]carbamate
PubChem CID59093478
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Namecyclohexyl N-[2-(4-phenylphenyl)propyl]carbamate
SMILESCC(CNC(=O)OC1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H27NO2/c1-17(16-23-22(24)25-21-10-6-3-7-11-21)18-12-14-20(15-13-18)19-8-4-2-5-9-19/h2,4-5,8-9,12-15,17,21H,3,6-7,10-11,16H2,1H3,(H,23,24)
InChIKeyCTYBNPDPOQJJIR-UHFFFAOYSA-N
XLogP5.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cyclohexyl N-[2-(4-phenylphenyl)propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopentyl N-(2-phenylpropyl)carbamate
CID 59093438
cyclohexyl N-(2-methylpropyl)carbamate
CID 123419142
bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide
CID 175348879
cyclohexyl 2-(4-phenylphenoxy)propanoate
CID 23961617
cyclohexyl N-ethylcarbamate
CID 22978796
cyclopentyl N-ethylcarbamate
CID 54482890
N-[2-(4-phenylphenyl)propyl]pyridine-4-carboxamide
CID 59093479
cyclohexyl 4-[2-(4-phenylphenoxy)propanoylamino]benzoate
CID 19191526
cyclohexyl 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]acetate
CID 110183811
N-cyclohexyl-2-(2-phenylpropylamino)propanamide
CID 115569785
cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate
CID 155077226
dicyclohexyl 2-phenylpropanedioate
CID 130210180

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[2-(4-phenylphenyl)propyl]carbamate?
The IUPAC name of cyclohexyl N-[2-(4-phenylphenyl)propyl]carbamate (CID 59093478) is cyclohexyl N-[2-(4-phenylphenyl)propyl]carbamate.
What is the SMILES notation for cyclohexyl N-[2-(4-phenylphenyl)propyl]carbamate?
The canonical SMILES for cyclohexyl N-[2-(4-phenylphenyl)propyl]carbamate is CC(CNC(=O)OC1CCCCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of cyclohexyl N-[2-(4-phenylphenyl)propyl]carbamate?
The InChIKey is CTYBNPDPOQJJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-17(16-23-22(24)25-21-10-6-3-7-11-21)18-12-14-20(15-13-18)19-8-4-2-5-9-19/h2,4-5,8-9,12-15,17,21H,3,6-7,10-11,16H2,1H3,(H,23,24).
What are the key properties of cyclohexyl N-[2-(4-phenylphenyl)propyl]carbamate?
cyclohexyl N-[2-(4-phenylphenyl)propyl]carbamate has a molecular weight of 337.46 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-[2-(4-phenylphenyl)propyl]carbamate is sourced from PubChem (CID 59093478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).