tert-butyl N-(1-cyclohexyl-4-hydroxypentan-3-yl)carbamate

C16H31NO3 — CID 68758091

IUPACtert-butyl N-(1-cyclohexyl-4-hydroxypentan-3-yl)carbamate
SMILESCC(O)C(CCC1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO3/c1-12(18)14(17-15(19)20-16(2,3)4)11-10-13-8-6-5-7-9-13/h12-14,18H,5-11H2,1-4H3,(H,17,19)
InChIKeyCFRSHVIDLKPOAN-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.62
Rot. Bonds5

About tert-butyl N-(1-cyclohexyl-4-hydroxypentan-3-yl)carbamate

tert-butyl N-(1-cyclohexyl-4-hydroxypentan-3-yl)carbamate (PubChem CID 68758091) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is tert-butyl N-(1-cyclohexyl-4-hydroxypentan-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyclohexyl-4-hydroxypentan-3-yl)carbamate
PubChem CID68758091
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nametert-butyl N-(1-cyclohexyl-4-hydroxypentan-3-yl)carbamate
SMILESCC(O)C(CCC1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO3/c1-12(18)14(17-15(19)20-16(2,3)4)11-10-13-8-6-5-7-9-13/h12-14,18H,5-11H2,1-4H3,(H,17,19)
InChIKeyCFRSHVIDLKPOAN-UHFFFAOYSA-N
XLogP3.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S,3S,4S,5S)-1,6-dicyclohexyl-3,4-dihydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-yl]carbamate
CID 15093368
tert-butyl N-[(2S,3R)-1-cyclohexyl-3,4-dihydroxy-5-methylhexan-2-yl]carbamate
CID 139674733
tert-butyl N-[(2S)-1-cyclohexyl-3,5-dihydroxy-6-methylheptan-2-yl]carbamate
CID 70056098
[(2S,3S)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamic acid
CID 68709377
tert-butyl N-[(2S,3S)-1-cyclohexyl-3-hydroxy-6-methyl-5-oxoheptan-2-yl]carbamate
CID 10641007
tert-butyl N-[(2S,3S)-2-hydroxyheptan-3-yl]carbamate
CID 23243729
tert-butyl N-[(2S,3S)-1-cyclohexyl-3-hydroxy-4-(methylamino)butan-2-yl]carbamate
CID 57229567
tert-butyl N-[(1S,2S)-3-cyclohexyl-1-(1,3-dithian-2-yl)-1-hydroxypropan-2-yl]carbamate
CID 22852342
(2S,4S,5S)-6-cyclohexyl-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-propan-2-ylhexanoic acid
CID 57129165
[(3S,4S)-5-cyclohexyl-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] methanesulfonate
CID 14590834
tert-butyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-methyl-6-(methylamino)-6-oxohexan-2-yl]carbamate
CID 15045750
(3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 118276545

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-cyclohexyl-4-hydroxypentan-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-cyclohexyl-4-hydroxypentan-3-yl)carbamate (CID 68758091) is tert-butyl N-(1-cyclohexyl-4-hydroxypentan-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-cyclohexyl-4-hydroxypentan-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-cyclohexyl-4-hydroxypentan-3-yl)carbamate is CC(O)C(CCC1CCCCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-cyclohexyl-4-hydroxypentan-3-yl)carbamate?
The InChIKey is CFRSHVIDLKPOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-12(18)14(17-15(19)20-16(2,3)4)11-10-13-8-6-5-7-9-13/h12-14,18H,5-11H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-(1-cyclohexyl-4-hydroxypentan-3-yl)carbamate?
tert-butyl N-(1-cyclohexyl-4-hydroxypentan-3-yl)carbamate has a molecular weight of 285.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-cyclohexyl-4-hydroxypentan-3-yl)carbamate is sourced from PubChem (CID 68758091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).