N-methyl-N-[[(3R)-oxolan-3-yl]methyl]cyclohexanecarboxamide

C13H23NO2 — CID 164633173

IUPACN-methyl-N-[[(3R)-oxolan-3-yl]methyl]cyclohexanecarboxamide
SMILESCN(C[C@H]1CCOC1)C(=O)C1CCCCC1
InChIInChI=1S/C13H23NO2/c1-14(9-11-7-8-16-10-11)13(15)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3/t11-/m1/s1
InChIKeyXMBMCNIMZJAVQL-LLVKDONJSA-N
MW225.33 g/mol
LogP2.06
Rot. Bonds3

About N-methyl-N-[[(3R)-oxolan-3-yl]methyl]cyclohexanecarboxamide

N-methyl-N-[[(3R)-oxolan-3-yl]methyl]cyclohexanecarboxamide (PubChem CID 164633173) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-methyl-N-[[(3R)-oxolan-3-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[[(3R)-oxolan-3-yl]methyl]cyclohexanecarboxamide
PubChem CID164633173
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-methyl-N-[[(3R)-oxolan-3-yl]methyl]cyclohexanecarboxamide
SMILESCN(C[C@H]1CCOC1)C(=O)C1CCCCC1
InChIInChI=1S/C13H23NO2/c1-14(9-11-7-8-16-10-11)13(15)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3/t11-/m1/s1
InChIKeyXMBMCNIMZJAVQL-LLVKDONJSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(3R)-oxolan-3-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-methyl-N-[[(3R)-oxolan-3-yl]methyl]cyclohexanecarboxamide (CID 164633173) is N-methyl-N-[[(3R)-oxolan-3-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-methyl-N-[[(3R)-oxolan-3-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-methyl-N-[[(3R)-oxolan-3-yl]methyl]cyclohexanecarboxamide is CN(C[C@H]1CCOC1)C(=O)C1CCCCC1.
What is the InChIKey of N-methyl-N-[[(3R)-oxolan-3-yl]methyl]cyclohexanecarboxamide?
The InChIKey is XMBMCNIMZJAVQL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23NO2/c1-14(9-11-7-8-16-10-11)13(15)12-5-3-2-4-6-12/h11-12H,2-10H2,1H3/t11-/m1/s1.
What are the key properties of N-methyl-N-[[(3R)-oxolan-3-yl]methyl]cyclohexanecarboxamide?
N-methyl-N-[[(3R)-oxolan-3-yl]methyl]cyclohexanecarboxamide has a molecular weight of 225.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(3R)-oxolan-3-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 164633173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).