2,3-dihydrofuran-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate

C18H30N2O5 — CID 71027951

IUPAC2,3-dihydrofuran-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate
SMILESCC(C)[C@@H](CO)NC(=O)C1(NC(=O)OCC2CC=CO2)CCCCC1
InChIInChI=1S/C18H30N2O5/c1-13(2)15(11-21)19-16(22)18(8-4-3-5-9-18)20-17(23)25-12-14-7-6-10-24-14/h6,10,13-15,21H,3-5,7-9,11-12H2,1-2H3,(H,19,22)(H,20,23)/t14?,15-/m1/s1
InChIKeyZNCGOUNVOQBFOL-YSSOQSIOSA-N
MW354.45 g/mol
LogP1.85
Rot. Bonds7

About 2,3-dihydrofuran-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate

2,3-dihydrofuran-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate (PubChem CID 71027951) has the molecular formula C18H30N2O5 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2,3-dihydrofuran-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate.

Molecular Properties

Compound Name2,3-dihydrofuran-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate
PubChem CID71027951
Molecular FormulaC18H30N2O5
Molecular Weight354.45 g/mol
Exact Mass354.22
IUPAC Name2,3-dihydrofuran-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate
SMILESCC(C)[C@@H](CO)NC(=O)C1(NC(=O)OCC2CC=CO2)CCCCC1
InChIInChI=1S/C18H30N2O5/c1-13(2)15(11-21)19-16(22)18(8-4-3-5-9-18)20-17(23)25-12-14-7-6-10-24-14/h6,10,13-15,21H,3-5,7-9,11-12H2,1-2H3,(H,19,22)(H,20,23)/t14?,15-/m1/s1
InChIKeyZNCGOUNVOQBFOL-YSSOQSIOSA-N
XLogP1.85
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate?
The IUPAC name of 2,3-dihydrofuran-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate (CID 71027951) is 2,3-dihydrofuran-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate.
What is the SMILES notation for 2,3-dihydrofuran-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate?
The canonical SMILES for 2,3-dihydrofuran-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate is CC(C)[C@@H](CO)NC(=O)C1(NC(=O)OCC2CC=CO2)CCCCC1.
What is the InChIKey of 2,3-dihydrofuran-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate?
The InChIKey is ZNCGOUNVOQBFOL-YSSOQSIOSA-N. The full InChI is InChI=1S/C18H30N2O5/c1-13(2)15(11-21)19-16(22)18(8-4-3-5-9-18)20-17(23)25-12-14-7-6-10-24-14/h6,10,13-15,21H,3-5,7-9,11-12H2,1-2H3,(H,19,22)(H,20,23)/t14?,15-/m1/s1.
What are the key properties of 2,3-dihydrofuran-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate?
2,3-dihydrofuran-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate has a molecular weight of 354.45 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-2-ylmethyl N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]carbamoyl]cyclohexyl]carbamate is sourced from PubChem (CID 71027951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).