N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide

C12H21NO2 — CID 164639616

IUPACN-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide
SMILESC[C@H](N(C)C(=O)C12CC(C1)C2)C(C)(C)O
InChIInChI=1S/C12H21NO2/c1-8(11(2,3)15)13(4)10(14)12-5-9(6-12)7-12/h8-9,15H,5-7H2,1-4H3/t8-,9?,12?/m0/s1
InChIKeyMFGNVFCSRACDKB-QTZUAFFRSA-N
MW211.30 g/mol
LogP1.40
Rot. Bonds3

About N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide

N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 164639616) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide
PubChem CID164639616
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide
SMILESC[C@H](N(C)C(=O)C12CC(C1)C2)C(C)(C)O
InChIInChI=1S/C12H21NO2/c1-8(11(2,3)15)13(4)10(14)12-5-9(6-12)7-12/h8-9,15H,5-7H2,1-4H3/t8-,9?,12?/m0/s1
InChIKeyMFGNVFCSRACDKB-QTZUAFFRSA-N
XLogP1.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide (CID 164639616) is N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide is C[C@H](N(C)C(=O)C12CC(C1)C2)C(C)(C)O.
What is the InChIKey of N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is MFGNVFCSRACDKB-QTZUAFFRSA-N. The full InChI is InChI=1S/C12H21NO2/c1-8(11(2,3)15)13(4)10(14)12-5-9(6-12)7-12/h8-9,15H,5-7H2,1-4H3/t8-,9?,12?/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide?
N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 211.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 164639616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).