N-methyl-N-(4-methylcyclohexyl)oxane-4-carboxamide

C14H25NO2 — CID 127433131

IUPACN-methyl-N-(4-methylcyclohexyl)oxane-4-carboxamide
SMILESCC1CCC(N(C)C(=O)C2CCOCC2)CC1
InChIInChI=1S/C14H25NO2/c1-11-3-5-13(6-4-11)15(2)14(16)12-7-9-17-10-8-12/h11-13H,3-10H2,1-2H3
InChIKeyXFWMSUDXHRPVGR-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.45
Rot. Bonds2

About N-methyl-N-(4-methylcyclohexyl)oxane-4-carboxamide

N-methyl-N-(4-methylcyclohexyl)oxane-4-carboxamide (PubChem CID 127433131) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)oxane-4-carboxamide
PubChem CID127433131
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-methyl-N-(4-methylcyclohexyl)oxane-4-carboxamide
SMILESCC1CCC(N(C)C(=O)C2CCOCC2)CC1
InChIInChI=1S/C14H25NO2/c1-11-3-5-13(6-4-11)15(2)14(16)12-7-9-17-10-8-12/h11-13H,3-10H2,1-2H3
InChIKeyXFWMSUDXHRPVGR-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 91915001
N-cyclohexyl-N-methyloxane-4-carboxamide
CID 51074436
N-(2-methylcyclohexyl)oxane-4-carboxamide
CID 51073130
[(4S)-4-methylazepan-1-yl]-(oxan-4-yl)methanone
CID 95020952
oxan-4-yl-[(3S)-3-propan-2-yl-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124291677
N-(4-methylcyclohexyl)oxane-4-carboxamide
CID 39958727
N-cyclopropyl-N-propyloxane-4-carboxamide
CID 58376720
4-methoxy-N-methyl-N-(4-propan-2-ylcyclohexyl)butanamide
CID 58394583
[(3R)-3-methylpiperidin-1-yl]-(oxan-4-yl)methanone
CID 58394661
(2-Tert-butylpiperidin-1-yl)-(oxan-4-yl)methanone
CID 58563890
Oxan-4-yl-(2-propan-2-ylpiperidin-1-yl)methanone
CID 60321978
N-(4-propan-2-ylcyclohexyl)oxane-4-carboxamide
CID 68067746

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)oxane-4-carboxamide?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)oxane-4-carboxamide (CID 127433131) is N-methyl-N-(4-methylcyclohexyl)oxane-4-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)oxane-4-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)oxane-4-carboxamide is CC1CCC(N(C)C(=O)C2CCOCC2)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)oxane-4-carboxamide?
The InChIKey is XFWMSUDXHRPVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11-3-5-13(6-4-11)15(2)14(16)12-7-9-17-10-8-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)oxane-4-carboxamide?
N-methyl-N-(4-methylcyclohexyl)oxane-4-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)oxane-4-carboxamide is sourced from PubChem (CID 127433131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).