tert-butyl N-(1-cyclohexyl-3-hydroxypropan-2-yl)carbamate

HCID 3989114

Notes Reactions

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Basic information

Standard SMILES: CC(C)(C)OC(=O)NC(CO)CC1CCCCC1
InChIKey: BOJQBBXPSVGTQT-UHFFFAOYSA-N
Molecular formula: C14H27NO3
Average molar mass: 257.37 g/mol

Names & identifiers

Preferred name: tert-butyl N-(1-cyclohexyl-3-hydroxypropan-2-yl)carbamate
IUPAC: tert-butyl N-(1-cyclohexyl-3-hydroxypropan-2-yl)carbamate

Names & synonyms

tert-butyl N-(1-cyclohexyl-3-hydroxypropan-2-yl)carbamate194342-34-2SCHEMBL1424703AKOS024364958AB88369SB46978ST50997520EN300-6488969tert-butyl N-[1-(cyclohexylmethyl)-2-hydroxy-ethyl]carbamateN-[(1S)-1-(cyclohexylmethyl)-2-hydroxyethyl](tert-butoxy)carboxamide

Database identifiers

PubChem CID: 3989114

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 18
Formal charge: 0
Complexity: 254

Related reactions

5 records

New reaction record

HRID 118017As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 211729As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 214253As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 2317064As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

HRID 2328404As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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