tert-butyl N-[(2S,3R)-1-cyclohexyl-3-(2-ethoxyethoxy)-4-hydroxybutan-2-yl]carbamate

C19H37NO5 — CID 134972004

IUPACtert-butyl N-[(2S,3R)-1-cyclohexyl-3-(2-ethoxyethoxy)-4-hydroxybutan-2-yl]carbamate
SMILESCCOCCO[C@@H](CO)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H37NO5/c1-5-23-11-12-24-17(14-21)16(13-15-9-7-6-8-10-15)20-18(22)25-19(2,3)4/h15-17,21H,5-14H2,1-4H3,(H,20,22)/t16-,17-/m0/s1
InChIKeyFOHUDIUDXGFXRE-IRXDYDNUSA-N
MW359.51 g/mol
LogP3.26
Rot. Bonds10

About tert-butyl N-[(2S,3R)-1-cyclohexyl-3-(2-ethoxyethoxy)-4-hydroxybutan-2-yl]carbamate

tert-butyl N-[(2S,3R)-1-cyclohexyl-3-(2-ethoxyethoxy)-4-hydroxybutan-2-yl]carbamate (PubChem CID 134972004) has the molecular formula C19H37NO5 and a molecular weight of 359.51 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-1-cyclohexyl-3-(2-ethoxyethoxy)-4-hydroxybutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-1-cyclohexyl-3-(2-ethoxyethoxy)-4-hydroxybutan-2-yl]carbamate
PubChem CID134972004
Molecular FormulaC19H37NO5
Molecular Weight359.51 g/mol
Exact Mass359.27
IUPAC Nametert-butyl N-[(2S,3R)-1-cyclohexyl-3-(2-ethoxyethoxy)-4-hydroxybutan-2-yl]carbamate
SMILESCCOCCO[C@@H](CO)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H37NO5/c1-5-23-11-12-24-17(14-21)16(13-15-9-7-6-8-10-15)20-18(22)25-19(2,3)4/h15-17,21H,5-14H2,1-4H3,(H,20,22)/t16-,17-/m0/s1
InChIKeyFOHUDIUDXGFXRE-IRXDYDNUSA-N
XLogP3.26
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-1-cyclohexyl-3-(2-ethoxyethoxy)-4-hydroxybutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-1-cyclohexyl-3-(2-ethoxyethoxy)-4-hydroxybutan-2-yl]carbamate (CID 134972004) is tert-butyl N-[(2S,3R)-1-cyclohexyl-3-(2-ethoxyethoxy)-4-hydroxybutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-1-cyclohexyl-3-(2-ethoxyethoxy)-4-hydroxybutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-1-cyclohexyl-3-(2-ethoxyethoxy)-4-hydroxybutan-2-yl]carbamate is CCOCCO[C@@H](CO)[C@H](CC1CCCCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3R)-1-cyclohexyl-3-(2-ethoxyethoxy)-4-hydroxybutan-2-yl]carbamate?
The InChIKey is FOHUDIUDXGFXRE-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H37NO5/c1-5-23-11-12-24-17(14-21)16(13-15-9-7-6-8-10-15)20-18(22)25-19(2,3)4/h15-17,21H,5-14H2,1-4H3,(H,20,22)/t16-,17-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3R)-1-cyclohexyl-3-(2-ethoxyethoxy)-4-hydroxybutan-2-yl]carbamate?
tert-butyl N-[(2S,3R)-1-cyclohexyl-3-(2-ethoxyethoxy)-4-hydroxybutan-2-yl]carbamate has a molecular weight of 359.51 g/mol, XLogP of 3.26, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R)-1-cyclohexyl-3-(2-ethoxyethoxy)-4-hydroxybutan-2-yl]carbamate is sourced from PubChem (CID 134972004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).