N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,5-trimethyloxolane-3-carboxamide

C14H25NO3 — CID 102739129

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N[C@H]2CCCC[C@@H]2O)C1C
InChIInChI=1S/C14H25NO3/c1-8-9(2)18-10(3)13(8)14(17)15-11-6-4-5-7-12(11)16/h8-13,16H,4-7H2,1-3H3,(H,15,17)/t8?,9?,10?,11-,12-,13?/m0/s1
InChIKeyBYADIOIFPAPFHB-CFRCMTSWSA-N
MW255.36 g/mol
LogP1.47
Rot. Bonds2

About N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,5-trimethyloxolane-3-carboxamide

N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 102739129) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID102739129
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)N[C@H]2CCCC[C@@H]2O)C1C
InChIInChI=1S/C14H25NO3/c1-8-9(2)18-10(3)13(8)14(17)15-11-6-4-5-7-12(11)16/h8-13,16H,4-7H2,1-3H3,(H,15,17)/t8?,9?,10?,11-,12-,13?/m0/s1
InChIKeyBYADIOIFPAPFHB-CFRCMTSWSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,5-trimethyloxolane-3-carboxamide (CID 102739129) is N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)N[C@H]2CCCC[C@@H]2O)C1C.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is BYADIOIFPAPFHB-CFRCMTSWSA-N. The full InChI is InChI=1S/C14H25NO3/c1-8-9(2)18-10(3)13(8)14(17)15-11-6-4-5-7-12(11)16/h8-13,16H,4-7H2,1-3H3,(H,15,17)/t8?,9?,10?,11-,12-,13?/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,5-trimethyloxolane-3-carboxamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 102739129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).