1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide

C14H25NO2 — CID 105060872

IUPAC1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide
SMILESC=C(C)COCCNC(=O)C1(C)CCCCC1
InChIInChI=1S/C14H25NO2/c1-12(2)11-17-10-9-15-13(16)14(3)7-5-4-6-8-14/h1,4-11H2,2-3H3,(H,15,16)
InChIKeyXLASDCMIZFWMQL-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.67
Rot. Bonds6

About 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide

1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide (PubChem CID 105060872) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide
PubChem CID105060872
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide
SMILESC=C(C)COCCNC(=O)C1(C)CCCCC1
InChIInChI=1S/C14H25NO2/c1-12(2)11-17-10-9-15-13(16)14(3)7-5-4-6-8-14/h1,4-11H2,2-3H3,(H,15,16)
InChIKeyXLASDCMIZFWMQL-UHFFFAOYSA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,4-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide
CID 113340448
N-[2-(2-methylprop-2-enoxy)ethyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114469558
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115699779
N-[2-(2-methylprop-2-enoxy)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115700204
2-(Bicyclo[2.2.1]heptane-1-carbonylamino)ethyl 2-methylprop-2-enoate
CID 68039491
2-[[2-[1,3,3-Trimethyl-5-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyl]cyclohexyl]acetyl]amino]ethyl 2-methylprop-2-enoate
CID 134226577
3-cyclohexyl-N-[3,3-dimethyl-1-(2-methylprop-2-enoxy)butan-2-yl]propanamide;molecular hydrogen
CID 145466061
2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentane-1-carboxamide
CID 104439160
2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclopentane-1-carboxamide
CID 104918216
N-[2-(2-aminoethoxy)ethyl]-1-methylcyclohexane-1-carboxamide
CID 106829123
2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide
CID 107180295
4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide
CID 113258379

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide (CID 105060872) is 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide is C=C(C)COCCNC(=O)C1(C)CCCCC1.
What is the InChIKey of 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide?
The InChIKey is XLASDCMIZFWMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-12(2)11-17-10-9-15-13(16)14(3)7-5-4-6-8-14/h1,4-11H2,2-3H3,(H,15,16).
What are the key properties of 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide?
1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 105060872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).