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

C14H25NO2 — CID 113258379

IUPAC4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide
SMILESC=C(C)COCCNC(=O)C1CCC(C)CC1
InChIInChI=1S/C14H25NO2/c1-11(2)10-17-9-8-15-14(16)13-6-4-12(3)5-7-13/h12-13H,1,4-10H2,2-3H3,(H,15,16)
InChIKeySIFVRKWEVWWBQL-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.52
Rot. Bonds6

About 4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide

4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide (PubChem CID 113258379) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide
PubChem CID113258379
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide
SMILESC=C(C)COCCNC(=O)C1CCC(C)CC1
InChIInChI=1S/C14H25NO2/c1-11(2)10-17-9-8-15-14(16)13-6-4-12(3)5-7-13/h12-13H,1,4-10H2,2-3H3,(H,15,16)
InChIKeySIFVRKWEVWWBQL-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide (CID 113258379) is 4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide is C=C(C)COCCNC(=O)C1CCC(C)CC1.
What is the InChIKey of 4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide?
The InChIKey is SIFVRKWEVWWBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(2)10-17-9-8-15-14(16)13-6-4-12(3)5-7-13/h12-13H,1,4-10H2,2-3H3,(H,15,16).
What are the key properties of 4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide?
4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 113258379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).