N-ethyl-5-methyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide

C13H23NO — CID 89422368

IUPACN-ethyl-5-methyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide
SMILESC=C(C)C1CCC(C)CC1C(=O)NCC
InChIInChI=1S/C13H23NO/c1-5-14-13(15)12-8-10(4)6-7-11(12)9(2)3/h10-12H,2,5-8H2,1,3-4H3,(H,14,15)
InChIKeyXJJQECZNTFOOLV-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.75
Rot. Bonds3

About N-ethyl-5-methyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide

N-ethyl-5-methyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide (PubChem CID 89422368) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-ethyl-5-methyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide
PubChem CID89422368
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-ethyl-5-methyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide
SMILESC=C(C)C1CCC(C)CC1C(=O)NCC
InChIInChI=1S/C13H23NO/c1-5-14-13(15)12-8-10(4)6-7-11(12)9(2)3/h10-12H,2,5-8H2,1,3-4H3,(H,14,15)
InChIKeyXJJQECZNTFOOLV-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-
CID 62907
Ethyl menthane carboxamide, (1R,3R,4S)-
CID 7168187
1-Cyclohexene-1-acetamide, 4-cyclohexyl-N-ethyl-alpha-methyl-
CID 206764
(1R,14R,15S)-15-ethenyl-15-methyl-2,13-dimethylidene-4,11-diazabicyclo[12.3.1]octadecane-5,10-dione
CID 168274921
2-(Isopropyl)-5-methyl-N-propylcyclohexanecarboxamide
CID 3018432
N,2-Bis(isopropyl)-5-methylcyclohexanecarboxamide
CID 93590
N-Butyl-2-isopropyl-5-methylcyclohexanecarboxamide
CID 3018433
2-(Isopropyl)-N-(1-methylpropyl)-5-methylcyclohexanecarboxamide
CID 3018435
trans-(1R,2R)-N-(cyanomethyl)-5,5-difluoro-2-prop-1-en-2-ylcyclohexane-1-carboxamide
CID 142979898
(R)-2-ethyl-N-((S)-4-ethyloct-7-en-1-yl)-6-methylhept-6-enamide
CID 163319716
2-(Isopropyl)-N-(2-methylpropyl)-5-methylcyclohexanecarboxamide
CID 3018434
(2R)-N-(cyanomethyl)-5-fluoro-2-prop-1-en-2-ylcyclohexane-1-carboxamide
CID 142979862

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-ethyl-5-methyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide (CID 89422368) is N-ethyl-5-methyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide is C=C(C)C1CCC(C)CC1C(=O)NCC.
What is the InChIKey of N-ethyl-5-methyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide?
The InChIKey is XJJQECZNTFOOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-14-13(15)12-8-10(4)6-7-11(12)9(2)3/h10-12H,2,5-8H2,1,3-4H3,(H,14,15).
What are the key properties of N-ethyl-5-methyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide?
N-ethyl-5-methyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide has a molecular weight of 209.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 89422368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).