N-(oxolan-2-ylmethyl)cyclohexanecarboxamide

C12H21NO2 — CID 531816

IUPACN-(oxolan-2-ylmethyl)cyclohexanecarboxamide
SMILESO=C(NCC1CCCO1)C1CCCCC1
InChIInChI=1S/C12H21NO2/c14-12(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h10-11H,1-9H2,(H,13,14)
InChIKeyVZZZJFZRZIRFPP-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.86
Rot. Bonds3

About N-(oxolan-2-ylmethyl)cyclohexanecarboxamide

N-(oxolan-2-ylmethyl)cyclohexanecarboxamide (PubChem CID 531816) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)cyclohexanecarboxamide
PubChem CID531816
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(oxolan-2-ylmethyl)cyclohexanecarboxamide
SMILESO=C(NCC1CCCO1)C1CCCCC1
InChIInChI=1S/C12H21NO2/c14-12(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h10-11H,1-9H2,(H,13,14)
InChIKeyVZZZJFZRZIRFPP-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexylmethyl)-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide
CID 646023
2-cyclohexyl-N-(oxolan-2-ylmethyl)acetamide
CID 2913058
Cyclobutanecarboxamide, N-tetrahydrofurfuryl-
CID 531900
Octanamide, N-tetrahydrofurfuryl-
CID 531795
Cyclopentanecarboxamide, N-tetrahydrofurfuryl-
CID 531882
4-cyclohexyl-N-(oxolan-2-ylmethyl)butanamide
CID 2899551
3-cyclopentyl-N-(oxolan-2-ylmethyl)propanamide
CID 5070892
N-(1,4-dioxaspiro[4.4]nonan-2-ylmethyl)cyclohexanecarboxamide
CID 18583948
3-cyclohexyl-N-[1-(tetrahydrofuran-2-yl)ethyl]propanamide
CID 17330468
3-[1-(3-cyclopentylpropyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42346355
N-(2-Methylcyclohexyl)oxolane-2-carboxamide
CID 42910855
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)cyclohexanecarboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)cyclohexanecarboxamide (CID 531816) is N-(oxolan-2-ylmethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)cyclohexanecarboxamide is O=C(NCC1CCCO1)C1CCCCC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)cyclohexanecarboxamide?
The InChIKey is VZZZJFZRZIRFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-12(10-5-2-1-3-6-10)13-9-11-7-4-8-15-11/h10-11H,1-9H2,(H,13,14).
What are the key properties of N-(oxolan-2-ylmethyl)cyclohexanecarboxamide?
N-(oxolan-2-ylmethyl)cyclohexanecarboxamide has a molecular weight of 211.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)cyclohexanecarboxamide is sourced from PubChem (CID 531816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).