(1R,2S,5R)-N-tert-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C15H29NO — CID 11622820

IUPAC(1R,2S,5R)-N-tert-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C15H29NO/c1-10(2)12-8-7-11(3)9-13(12)14(17)16-15(4,5)6/h10-13H,7-9H2,1-6H3,(H,16,17)/t11-,12+,13-/m1/s1
InChIKeyZVKDZYPEJXGLJG-FRRDWIJNSA-N
MW239.40 g/mol
LogP3.61
Rot. Bonds2

About (1R,2S,5R)-N-tert-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

(1R,2S,5R)-N-tert-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 11622820) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (1R,2S,5R)-N-tert-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,2S,5R)-N-tert-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID11622820
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(1R,2S,5R)-N-tert-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C15H29NO/c1-10(2)12-8-7-11(3)9-13(12)14(17)16-15(4,5)6/h10-13H,7-9H2,1-6H3,(H,16,17)/t11-,12+,13-/m1/s1
InChIKeyZVKDZYPEJXGLJG-FRRDWIJNSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-N-tert-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of (1R,2S,5R)-N-tert-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 11622820) is (1R,2S,5R)-N-tert-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for (1R,2S,5R)-N-tert-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for (1R,2S,5R)-N-tert-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NC(C)(C)C.
What is the InChIKey of (1R,2S,5R)-N-tert-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is ZVKDZYPEJXGLJG-FRRDWIJNSA-N. The full InChI is InChI=1S/C15H29NO/c1-10(2)12-8-7-11(3)9-13(12)14(17)16-15(4,5)6/h10-13H,7-9H2,1-6H3,(H,16,17)/t11-,12+,13-/m1/s1.
What are the key properties of (1R,2S,5R)-N-tert-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
(1R,2S,5R)-N-tert-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 239.40 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-N-tert-butyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 11622820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).