N-[(1S,4S)-4-tert-butyl-2-oxocyclohexyl]-2,2-dimethylpropanamide

C15H27NO2 — CID 164677807

IUPACN-[(1S,4S)-4-tert-butyl-2-oxocyclohexyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@H]1CC[C@H](C(C)(C)C)CC1=O
InChIInChI=1S/C15H27NO2/c1-14(2,3)10-7-8-11(12(17)9-10)16-13(18)15(4,5)6/h10-11H,7-9H2,1-6H3,(H,16,18)/t10-,11-/m0/s1
InChIKeyOKDUMYISRBBVQD-QWRGUYRKSA-N
MW253.39 g/mol
LogP2.93
Rot. Bonds1

About N-[(1S,4S)-4-tert-butyl-2-oxocyclohexyl]-2,2-dimethylpropanamide

N-[(1S,4S)-4-tert-butyl-2-oxocyclohexyl]-2,2-dimethylpropanamide (PubChem CID 164677807) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(1S,4S)-4-tert-butyl-2-oxocyclohexyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1S,4S)-4-tert-butyl-2-oxocyclohexyl]-2,2-dimethylpropanamide
PubChem CID164677807
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-[(1S,4S)-4-tert-butyl-2-oxocyclohexyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@H]1CC[C@H](C(C)(C)C)CC1=O
InChIInChI=1S/C15H27NO2/c1-14(2,3)10-7-8-11(12(17)9-10)16-13(18)15(4,5)6/h10-11H,7-9H2,1-6H3,(H,16,18)/t10-,11-/m0/s1
InChIKeyOKDUMYISRBBVQD-QWRGUYRKSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,4S)-4-tert-butyl-2-oxocyclohexyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(1S,4S)-4-tert-butyl-2-oxocyclohexyl]-2,2-dimethylpropanamide (CID 164677807) is N-[(1S,4S)-4-tert-butyl-2-oxocyclohexyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1S,4S)-4-tert-butyl-2-oxocyclohexyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1S,4S)-4-tert-butyl-2-oxocyclohexyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N[C@H]1CC[C@H](C(C)(C)C)CC1=O.
What is the InChIKey of N-[(1S,4S)-4-tert-butyl-2-oxocyclohexyl]-2,2-dimethylpropanamide?
The InChIKey is OKDUMYISRBBVQD-QWRGUYRKSA-N. The full InChI is InChI=1S/C15H27NO2/c1-14(2,3)10-7-8-11(12(17)9-10)16-13(18)15(4,5)6/h10-11H,7-9H2,1-6H3,(H,16,18)/t10-,11-/m0/s1.
What are the key properties of N-[(1S,4S)-4-tert-butyl-2-oxocyclohexyl]-2,2-dimethylpropanamide?
N-[(1S,4S)-4-tert-butyl-2-oxocyclohexyl]-2,2-dimethylpropanamide has a molecular weight of 253.39 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4S)-4-tert-butyl-2-oxocyclohexyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 164677807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).