tert-butyl N-benzyl-N-(4-hydroxycyclohexyl)carbamate

C18H27NO3 — CID 10902829

IUPACtert-butyl N-benzyl-N-(4-hydroxycyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C1CCC(O)CC1
InChIInChI=1S/C18H27NO3/c1-18(2,3)22-17(21)19(13-14-7-5-4-6-8-14)15-9-11-16(20)12-10-15/h4-8,15-16,20H,9-13H2,1-3H3
InChIKeyTYCDDVWPIHBHIB-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.73
Rot. Bonds3

About tert-butyl N-benzyl-N-(4-hydroxycyclohexyl)carbamate

tert-butyl N-benzyl-N-(4-hydroxycyclohexyl)carbamate (PubChem CID 10902829) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-benzyl-N-(4-hydroxycyclohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-benzyl-N-(4-hydroxycyclohexyl)carbamate
PubChem CID10902829
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nametert-butyl N-benzyl-N-(4-hydroxycyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccccc1)C1CCC(O)CC1
InChIInChI=1S/C18H27NO3/c1-18(2,3)22-17(21)19(13-14-7-5-4-6-8-14)15-9-11-16(20)12-10-15/h4-8,15-16,20H,9-13H2,1-3H3
InChIKeyTYCDDVWPIHBHIB-UHFFFAOYSA-N
XLogP3.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl N-benzyl-N-(2-hydroxyethyl)carbamate
CID 10753247
tert-butyl N-benzyl-N-[3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-hydroxypropyl]carbamate
CID 10648052
9-hydroxy-3-[(1S)-1-(4-methylphenyl)propyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67995930
3-[(1S)-1-(4-fluorophenyl)ethyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996040
9-hydroxy-3-[(1S)-1-(4-methylphenyl)ethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996317
9-hydroxy-3-[(1S)-1-phenylethyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996398
9-hydroxy-3-[(1S)-1-phenylpropyl]-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996503
3-[(1S)-1-[4-(difluoromethyl)phenyl]ethyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996763
3-[(1S)-1-(4-cyclopropylphenyl)ethyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996770
3-[(1S)-1-(3,4-difluorophenyl)ethyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67996792
3-[(1S)-1-(4-tert-butylphenyl)ethyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 67997066
3-[(1S)-1-(2,4-difluorophenyl)ethyl]-9-hydroxy-1-oxa-3-azaspiro[5.5]undecan-2-one
CID 68150313

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-benzyl-N-(4-hydroxycyclohexyl)carbamate?
The IUPAC name of tert-butyl N-benzyl-N-(4-hydroxycyclohexyl)carbamate (CID 10902829) is tert-butyl N-benzyl-N-(4-hydroxycyclohexyl)carbamate.
What is the SMILES notation for tert-butyl N-benzyl-N-(4-hydroxycyclohexyl)carbamate?
The canonical SMILES for tert-butyl N-benzyl-N-(4-hydroxycyclohexyl)carbamate is CC(C)(C)OC(=O)N(Cc1ccccc1)C1CCC(O)CC1.
What is the InChIKey of tert-butyl N-benzyl-N-(4-hydroxycyclohexyl)carbamate?
The InChIKey is TYCDDVWPIHBHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-18(2,3)22-17(21)19(13-14-7-5-4-6-8-14)15-9-11-16(20)12-10-15/h4-8,15-16,20H,9-13H2,1-3H3.
What are the key properties of tert-butyl N-benzyl-N-(4-hydroxycyclohexyl)carbamate?
tert-butyl N-benzyl-N-(4-hydroxycyclohexyl)carbamate has a molecular weight of 305.42 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-benzyl-N-(4-hydroxycyclohexyl)carbamate is sourced from PubChem (CID 10902829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).