N-methyl-N-(oxolan-3-ylmethyl)cyclohexanecarboxamide

C13H23NO2 — CID 110875857

IUPACN-methyl-N-(oxolan-3-ylmethyl)cyclohexanecarboxamide
SMILESCN(CC1CCOC1)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
InChIKeyXMBMCNIMZJAVQL-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.06
Rot. Bonds3

About N-methyl-N-(oxolan-3-ylmethyl)cyclohexanecarboxamide

N-methyl-N-(oxolan-3-ylmethyl)cyclohexanecarboxamide (PubChem CID 110875857) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-methyl-N-(oxolan-3-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxolan-3-ylmethyl)cyclohexanecarboxamide
PubChem CID110875857
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-methyl-N-(oxolan-3-ylmethyl)cyclohexanecarboxamide
SMILESCN(CC1CCOC1)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
InChIKeyXMBMCNIMZJAVQL-UHFFFAOYSA-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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Related Compounds

N-(3-butoxypropyl)cyclohexanecarboxamide
CID 2289748
2-cyclohexyl-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 91915001
N-methyl-N-(oxolan-3-ylmethyl)cyclopentanecarboxamide
CID 110875876
N-(oxolan-3-ylmethyl)-N-propylpentanamide
CID 91915492
N-methyl-N-(tetrahydro-3-furanylmethyl)pentanamide
CID 91915516
N-Methyl-N-[(oxan-4-YL)methyl]cyclopentanecarboxamide
CID 110752398
6-Bicyclo[3.1.0]hexanyl-[3-(ethoxymethyl)pyrrolidin-1-yl]methanone
CID 71924713
cycloheptyl-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]methanone
CID 97100941
N-methyl-N-[[(3R)-oxolan-3-yl]methyl]cyclohexanecarboxamide
CID 164633173
1,3,3a,4,6,6a-Hexahydrofuro[3,4-c]pyrrol-5-yl(cyclohexyl)methanone
CID 21518560
N-methyl-N-(2-propoxyethyl)cyclohexanecarboxamide
CID 57555856
1-(2-Butoxypyrrolidin-1-yl)-2-cyclohexylethane-1,2-dione
CID 58958711

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxolan-3-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N-methyl-N-(oxolan-3-ylmethyl)cyclohexanecarboxamide (CID 110875857) is N-methyl-N-(oxolan-3-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-methyl-N-(oxolan-3-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-methyl-N-(oxolan-3-ylmethyl)cyclohexanecarboxamide is CN(CC1CCOC1)C(=O)C1CCCCC1.
What is the InChIKey of N-methyl-N-(oxolan-3-ylmethyl)cyclohexanecarboxamide?
The InChIKey is XMBMCNIMZJAVQL-UHFFFAOYSA-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.
What are the key properties of N-methyl-N-(oxolan-3-ylmethyl)cyclohexanecarboxamide?
N-methyl-N-(oxolan-3-ylmethyl)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-(oxolan-3-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 110875857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).