(1S,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexane-1-carboxamide

C11H21NO2 — CID 57494678

IUPAC(1S,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)[C@@H]1CC[C@](C)(C(N)=O)C[C@H]1O
InChIInChI=1S/C11H21NO2/c1-7(2)8-4-5-11(3,10(12)14)6-9(8)13/h7-9,13H,4-6H2,1-3H3,(H2,12,14)/t8-,9+,11-/m0/s1
InChIKeySMFKEYBICZMKAL-NGZCFLSTSA-N
MW199.29 g/mol
LogP1.29
Rot. Bonds2

About (1S,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexane-1-carboxamide

(1S,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 57494678) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (1S,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexane-1-carboxamide
PubChem CID57494678
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(1S,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)[C@@H]1CC[C@](C)(C(N)=O)C[C@H]1O
InChIInChI=1S/C11H21NO2/c1-7(2)8-4-5-11(3,10(12)14)6-9(8)13/h7-9,13H,4-6H2,1-3H3,(H2,12,14)/t8-,9+,11-/m0/s1
InChIKeySMFKEYBICZMKAL-NGZCFLSTSA-N
XLogP1.29
TPSA63.32 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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of (1S,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexane-1-carboxamide (CID 57494678) is (1S,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for (1S,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexane-1-carboxamide is CC(C)[C@@H]1CC[C@](C)(C(N)=O)C[C@H]1O.
What is the InChIKey of (1S,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is SMFKEYBICZMKAL-NGZCFLSTSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7(2)8-4-5-11(3,10(12)14)6-9(8)13/h7-9,13H,4-6H2,1-3H3,(H2,12,14)/t8-,9+,11-/m0/s1.
What are the key properties of (1S,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexane-1-carboxamide?
(1S,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 199.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 57494678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).