tert-butyl N-(4-hydroxy-4-phenylcyclohexyl)carbamate

C17H25NO3 — CID 142554256

IUPACtert-butyl N-(4-hydroxy-4-phenylcyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C17H25NO3/c1-16(2,3)21-15(19)18-14-9-11-17(20,12-10-14)13-7-5-4-6-8-13/h4-8,14,20H,9-12H2,1-3H3,(H,18,19)
InChIKeyIRDAFRNXUHMWSD-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.34
Rot. Bonds2

About tert-butyl N-(4-hydroxy-4-phenylcyclohexyl)carbamate

tert-butyl N-(4-hydroxy-4-phenylcyclohexyl)carbamate (PubChem CID 142554256) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl N-(4-hydroxy-4-phenylcyclohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-hydroxy-4-phenylcyclohexyl)carbamate
PubChem CID142554256
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nametert-butyl N-(4-hydroxy-4-phenylcyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C17H25NO3/c1-16(2,3)21-15(19)18-14-9-11-17(20,12-10-14)13-7-5-4-6-8-13/h4-8,14,20H,9-12H2,1-3H3,(H,18,19)
InChIKeyIRDAFRNXUHMWSD-UHFFFAOYSA-N
XLogP3.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetic acid
CID 86722962
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylcyclopentane-1-carboxylic acid
CID 67252878
tert-butyl N-[4-hydroxy-4-(iodomethyl)cyclohexyl]carbamate
CID 134289716
tert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate
CID 130068094
tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate
CID 174975403
tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate
CID 90064993
tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane
CID 91059787
benzyl N-methyl-N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 91361033
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
CID 168513935
tert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
CID 167388554
tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate
CID 46318295

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-hydroxy-4-phenylcyclohexyl)carbamate?
The IUPAC name of tert-butyl N-(4-hydroxy-4-phenylcyclohexyl)carbamate (CID 142554256) is tert-butyl N-(4-hydroxy-4-phenylcyclohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-hydroxy-4-phenylcyclohexyl)carbamate?
The canonical SMILES for tert-butyl N-(4-hydroxy-4-phenylcyclohexyl)carbamate is CC(C)(C)OC(=O)NC1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of tert-butyl N-(4-hydroxy-4-phenylcyclohexyl)carbamate?
The InChIKey is IRDAFRNXUHMWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-16(2,3)21-15(19)18-14-9-11-17(20,12-10-14)13-7-5-4-6-8-13/h4-8,14,20H,9-12H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl N-(4-hydroxy-4-phenylcyclohexyl)carbamate?
tert-butyl N-(4-hydroxy-4-phenylcyclohexyl)carbamate has a molecular weight of 291.39 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-hydroxy-4-phenylcyclohexyl)carbamate is sourced from PubChem (CID 142554256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).