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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Related Compounds

N-[(1R,3R)-3-hydroxy-3-methylcyclohexyl]acetamide
CID 162469361
N-(3-hydroxy-3-methylcyclohexyl)acetamide
CID 139373491
1-(3-hydroxy-3-methylcyclohexyl)-3-methylurea
CID 139383918
(2S)-N-(3-hydroxy-3-methylcyclohexyl)pyrrolidine-2-carboxamide
CID 90063250
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
N-(2-hydroxy-2-methylcyclohexyl)-2-methylpropanamide
CID 137457356
2-methyl-N-(3-oxocyclohexyl)propanamide
CID 164677071
2-methyl-N-(3-oxospiro[3.5]nonan-7-yl)propanamide
CID 159536541
2-methyl-N-(3-methylcyclohexyl)propanamide
CID 60739958
N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylpropanamide
CID 58178690
2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 10422463
2-methyl-N-(thian-3-yl)propanamide
CID 115674781

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).