N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-2-methylpropanamide

C11H21NO2 — CID 139383920

IUPACN-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H]1CCC[C@](C)(O)C1
InChIInChI=1S/C11H21NO2/c1-8(2)10(13)12-9-5-4-6-11(3,14)7-9/h8-9,14H,4-7H2,1-3H3,(H,12,13)/t9-,11-/m0/s1
InChIKeyUARFOEWOFOXKMZ-ONGXEEELSA-N
MW199.29 g/mol
LogP1.45
Rot. Bonds2

About N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-2-methylpropanamide

N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-2-methylpropanamide (PubChem CID 139383920) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-2-methylpropanamide
PubChem CID139383920
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@H]1CCC[C@](C)(O)C1
InChIInChI=1S/C11H21NO2/c1-8(2)10(13)12-9-5-4-6-11(3,14)7-9/h8-9,14H,4-7H2,1-3H3,(H,12,13)/t9-,11-/m0/s1
InChIKeyUARFOEWOFOXKMZ-ONGXEEELSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-2-methylpropanamide?
The IUPAC name of N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-2-methylpropanamide (CID 139383920) is N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-2-methylpropanamide.
What is the SMILES notation for N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-2-methylpropanamide?
The canonical SMILES for N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-2-methylpropanamide is CC(C)C(=O)N[C@H]1CCC[C@](C)(O)C1.
What is the InChIKey of N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-2-methylpropanamide?
The InChIKey is UARFOEWOFOXKMZ-ONGXEEELSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)10(13)12-9-5-4-6-11(3,14)7-9/h8-9,14H,4-7H2,1-3H3,(H,12,13)/t9-,11-/m0/s1.
What are the key properties of N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-2-methylpropanamide?
N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-2-methylpropanamide has a molecular weight of 199.29 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-2-methylpropanamide is sourced from PubChem (CID 139383920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).