tert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate

C23H29NO2 — CID 139378275

IUPACtert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C23H29NO2/c1-23(2,3)26-22(25)24-21-11-7-10-20(16-21)19-14-12-18(13-15-19)17-8-5-4-6-9-17/h4-6,8-9,12-15,20-21H,7,10-11,16H2,1-3H3,(H,24,25)
InChIKeyNAVQLRATDARTET-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.90
Rot. Bonds3

About tert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate

tert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate (PubChem CID 139378275) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is tert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate
PubChem CID139378275
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Nametert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C23H29NO2/c1-23(2,3)26-22(25)24-21-11-7-10-20(16-21)19-14-12-18(13-15-19)17-8-5-4-6-9-17/h4-6,8-9,12-15,20-21H,7,10-11,16H2,1-3H3,(H,24,25)
InChIKeyNAVQLRATDARTET-UHFFFAOYSA-N
XLogP5.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(1R,3S)-3-(4-chlorophenyl)cyclohexyl]carbamate
CID 139378065
tert-butyl N-[(1R,3S)-3-(3-methylphenyl)cyclohexyl]carbamate
CID 139378150
tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate
CID 139378064
tert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate
CID 76800958
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
N-[(1R,3R)-3-phenylcyclohexyl]acetamide
CID 102139469
tert-butyl N-(1-acetyl-5-phenylpiperidin-3-yl)carbamate
CID 112544487
tert-butyl N-[(2S)-1-[[3-(4-methoxyphenyl)cyclohexyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 15765445
tert-butyl N-[(1R,3S)-3-(5-amino-2-methylphenyl)cyclohexyl]carbamate
CID 125450247
tert-butyl (1R,3S,5R)-3-[(3-phenylcyclohexyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 90019365
tert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
CID 167388554
tert-butyl N-[[(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]carbamate
CID 118227156

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate (CID 139378275) is tert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCCC(c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of tert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate?
The InChIKey is NAVQLRATDARTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-23(2,3)26-22(25)24-21-11-7-10-20(16-21)19-14-12-18(13-15-19)17-8-5-4-6-9-17/h4-6,8-9,12-15,20-21H,7,10-11,16H2,1-3H3,(H,24,25).
What are the key properties of tert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate?
tert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate has a molecular weight of 351.49 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate is sourced from PubChem (CID 139378275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).