(2S)-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-2-carboxamide

C15H27NO2 — CID 164642557

IUPAC(2S)-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-2-carboxamide
SMILESCC1(C)C(CNC(=O)[C@]2(C)CCCCO2)C1(C)C
InChIInChI=1S/C15H27NO2/c1-13(2)11(14(13,3)4)10-16-12(17)15(5)8-6-7-9-18-15/h11H,6-10H2,1-5H3,(H,16,17)/t15-/m0/s1
InChIKeyGJCCMGJMPPQXRK-HNNXBMFYSA-N
MW253.39 g/mol
LogP2.74
Rot. Bonds3

About (2S)-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-2-carboxamide

(2S)-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-2-carboxamide (PubChem CID 164642557) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (2S)-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-2-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-2-carboxamide
PubChem CID164642557
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(2S)-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-2-carboxamide
SMILESCC1(C)C(CNC(=O)[C@]2(C)CCCCO2)C1(C)C
InChIInChI=1S/C15H27NO2/c1-13(2)11(14(13,3)4)10-16-12(17)15(5)8-6-7-9-18-15/h11H,6-10H2,1-5H3,(H,16,17)/t15-/m0/s1
InChIKeyGJCCMGJMPPQXRK-HNNXBMFYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-2-carboxamide?
The IUPAC name of (2S)-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-2-carboxamide (CID 164642557) is (2S)-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-2-carboxamide.
What is the SMILES notation for (2S)-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-2-carboxamide?
The canonical SMILES for (2S)-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-2-carboxamide is CC1(C)C(CNC(=O)[C@]2(C)CCCCO2)C1(C)C.
What is the InChIKey of (2S)-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-2-carboxamide?
The InChIKey is GJCCMGJMPPQXRK-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-13(2)11(14(13,3)4)10-16-12(17)15(5)8-6-7-9-18-15/h11H,6-10H2,1-5H3,(H,16,17)/t15-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-2-carboxamide?
(2S)-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-2-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-2-carboxamide is sourced from PubChem (CID 164642557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).