tert-butyl N-[(6R)-6-(2-chlorophenyl)-6-hydroxy-2-methylhexan-2-yl]-N-methylcarbamate

C19H30ClNO3 — CID 155134956

IUPACtert-butyl N-[(6R)-6-(2-chlorophenyl)-6-hydroxy-2-methylhexan-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C(C)(C)CCC[C@@H](O)c1ccccc1Cl
InChIInChI=1S/C19H30ClNO3/c1-18(2,3)24-17(23)21(6)19(4,5)13-9-12-16(22)14-10-7-8-11-15(14)20/h7-8,10-11,16,22H,9,12-13H2,1-6H3/t16-/m1/s1
InChIKeyXUKPBCCKUZCACS-MRXNPFEDSA-N
MW355.91 g/mol
LogP5.19
Rot. Bonds6

About tert-butyl N-[(6R)-6-(2-chlorophenyl)-6-hydroxy-2-methylhexan-2-yl]-N-methylcarbamate

tert-butyl N-[(6R)-6-(2-chlorophenyl)-6-hydroxy-2-methylhexan-2-yl]-N-methylcarbamate (PubChem CID 155134956) has the molecular formula C19H30ClNO3 and a molecular weight of 355.91 g/mol. Its IUPAC name is tert-butyl N-[(6R)-6-(2-chlorophenyl)-6-hydroxy-2-methylhexan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(6R)-6-(2-chlorophenyl)-6-hydroxy-2-methylhexan-2-yl]-N-methylcarbamate
PubChem CID155134956
Molecular FormulaC19H30ClNO3
Molecular Weight355.91 g/mol
Exact Mass355.19
IUPAC Nametert-butyl N-[(6R)-6-(2-chlorophenyl)-6-hydroxy-2-methylhexan-2-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C(C)(C)CCC[C@@H](O)c1ccccc1Cl
InChIInChI=1S/C19H30ClNO3/c1-18(2,3)24-17(23)21(6)19(4,5)13-9-12-16(22)14-10-7-8-11-15(14)20/h7-8,10-11,16,22H,9,12-13H2,1-6H3/t16-/m1/s1
InChIKeyXUKPBCCKUZCACS-MRXNPFEDSA-N
XLogP5.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.91
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6R)-6-(2-chlorophenyl)-6-hydroxy-2-methylhexan-2-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(6R)-6-(2-chlorophenyl)-6-hydroxy-2-methylhexan-2-yl]-N-methylcarbamate (CID 155134956) is tert-butyl N-[(6R)-6-(2-chlorophenyl)-6-hydroxy-2-methylhexan-2-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(6R)-6-(2-chlorophenyl)-6-hydroxy-2-methylhexan-2-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(6R)-6-(2-chlorophenyl)-6-hydroxy-2-methylhexan-2-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C(C)(C)CCC[C@@H](O)c1ccccc1Cl.
What is the InChIKey of tert-butyl N-[(6R)-6-(2-chlorophenyl)-6-hydroxy-2-methylhexan-2-yl]-N-methylcarbamate?
The InChIKey is XUKPBCCKUZCACS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30ClNO3/c1-18(2,3)24-17(23)21(6)19(4,5)13-9-12-16(22)14-10-7-8-11-15(14)20/h7-8,10-11,16,22H,9,12-13H2,1-6H3/t16-/m1/s1.
What are the key properties of tert-butyl N-[(6R)-6-(2-chlorophenyl)-6-hydroxy-2-methylhexan-2-yl]-N-methylcarbamate?
tert-butyl N-[(6R)-6-(2-chlorophenyl)-6-hydroxy-2-methylhexan-2-yl]-N-methylcarbamate has a molecular weight of 355.91 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6R)-6-(2-chlorophenyl)-6-hydroxy-2-methylhexan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 155134956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).