2-[(1R,3S)-3-acetamidocyclohexyl]-2-methylpropanamide

C12H22N2O2 — CID 70333061

IUPAC2-[(1R,3S)-3-acetamidocyclohexyl]-2-methylpropanamide
SMILESCC(=O)N[C@H]1CCC[C@@H](C(C)(C)C(N)=O)C1
InChIInChI=1S/C12H22N2O2/c1-8(15)14-10-6-4-5-9(7-10)12(2,3)11(13)16/h9-10H,4-7H2,1-3H3,(H2,13,16)(H,14,15)/t9-,10+/m1/s1
InChIKeyFGOGGOFNWCZVMM-ZJUUUORDSA-N
MW226.32 g/mol
LogP1.19
Rot. Bonds3

About 2-[(1R,3S)-3-acetamidocyclohexyl]-2-methylpropanamide

2-[(1R,3S)-3-acetamidocyclohexyl]-2-methylpropanamide (PubChem CID 70333061) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(1R,3S)-3-acetamidocyclohexyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(1R,3S)-3-acetamidocyclohexyl]-2-methylpropanamide
PubChem CID70333061
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[(1R,3S)-3-acetamidocyclohexyl]-2-methylpropanamide
SMILESCC(=O)N[C@H]1CCC[C@@H](C(C)(C)C(N)=O)C1
InChIInChI=1S/C12H22N2O2/c1-8(15)14-10-6-4-5-9(7-10)12(2,3)11(13)16/h9-10H,4-7H2,1-3H3,(H2,13,16)(H,14,15)/t9-,10+/m1/s1
InChIKeyFGOGGOFNWCZVMM-ZJUUUORDSA-N
XLogP1.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,3S)-3-acetamidocyclohexyl]-2-methylpropanamide?
The IUPAC name of 2-[(1R,3S)-3-acetamidocyclohexyl]-2-methylpropanamide (CID 70333061) is 2-[(1R,3S)-3-acetamidocyclohexyl]-2-methylpropanamide.
What is the SMILES notation for 2-[(1R,3S)-3-acetamidocyclohexyl]-2-methylpropanamide?
The canonical SMILES for 2-[(1R,3S)-3-acetamidocyclohexyl]-2-methylpropanamide is CC(=O)N[C@H]1CCC[C@@H](C(C)(C)C(N)=O)C1.
What is the InChIKey of 2-[(1R,3S)-3-acetamidocyclohexyl]-2-methylpropanamide?
The InChIKey is FGOGGOFNWCZVMM-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8(15)14-10-6-4-5-9(7-10)12(2,3)11(13)16/h9-10H,4-7H2,1-3H3,(H2,13,16)(H,14,15)/t9-,10+/m1/s1.
What are the key properties of 2-[(1R,3S)-3-acetamidocyclohexyl]-2-methylpropanamide?
2-[(1R,3S)-3-acetamidocyclohexyl]-2-methylpropanamide has a molecular weight of 226.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,3S)-3-acetamidocyclohexyl]-2-methylpropanamide is sourced from PubChem (CID 70333061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).