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

C15H27NO2 — CID 107180295

IUPAC2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide
SMILESC=C(C)COCCNC(=O)C1CCCCC1(C)C
InChIInChI=1S/C15H27NO2/c1-12(2)11-18-10-9-16-14(17)13-7-5-6-8-15(13,3)4/h13H,1,5-11H2,2-4H3,(H,16,17)
InChIKeyYNRMOJYZMRFKLL-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.91
Rot. Bonds6

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

2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide (PubChem CID 107180295) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide
PubChem CID107180295
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide
SMILESC=C(C)COCCNC(=O)C1CCCCC1(C)C
InChIInChI=1S/C15H27NO2/c1-12(2)11-18-10-9-16-14(17)13-7-5-6-8-15(13,3)4/h13H,1,5-11H2,2-4H3,(H,16,17)
InChIKeyYNRMOJYZMRFKLL-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.91
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 2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide (CID 107180295) is 2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide is C=C(C)COCCNC(=O)C1CCCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide?
The InChIKey is YNRMOJYZMRFKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-12(2)11-18-10-9-16-14(17)13-7-5-6-8-15(13,3)4/h13H,1,5-11H2,2-4H3,(H,16,17).
What are the key properties of 2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide?
2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 107180295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).