N-(5-ethyl-2-methylcyclohex-3-en-1-yl)-2-methylpropanamide

C13H23NO — CID 166041962

IUPACN-(5-ethyl-2-methylcyclohex-3-en-1-yl)-2-methylpropanamide
SMILESCCC1C=CC(C)C(NC(=O)C(C)C)C1
InChIInChI=1S/C13H23NO/c1-5-11-7-6-10(4)12(8-11)14-13(15)9(2)3/h6-7,9-12H,5,8H2,1-4H3,(H,14,15)
InChIKeyIQMUOIOSZGLOGG-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.75
Rot. Bonds3

About N-(5-ethyl-2-methylcyclohex-3-en-1-yl)-2-methylpropanamide

N-(5-ethyl-2-methylcyclohex-3-en-1-yl)-2-methylpropanamide (PubChem CID 166041962) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(5-ethyl-2-methylcyclohex-3-en-1-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-ethyl-2-methylcyclohex-3-en-1-yl)-2-methylpropanamide
PubChem CID166041962
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(5-ethyl-2-methylcyclohex-3-en-1-yl)-2-methylpropanamide
SMILESCCC1C=CC(C)C(NC(=O)C(C)C)C1
InChIInChI=1S/C13H23NO/c1-5-11-7-6-10(4)12(8-11)14-13(15)9(2)3/h6-7,9-12H,5,8H2,1-4H3,(H,14,15)
InChIKeyIQMUOIOSZGLOGG-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

6-ethyl-3,4-dimethylcyclohexene
CID 123723236
2-methyl-N-[(1R,2R)-2-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 10422463
N-[(1R,2R)-2-hydroxycyclopentyl]-2-methylpropanamide
CID 138722563
N-[2-(chloromethyl)cyclohexyl]-2-methylpropanamide
CID 106366671
(2S)-2-amino-N-(2-ethylcyclopropyl)-3-methylbutanamide
CID 103796865
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
N-[(2S,4R,4aS,7aR)-2-ethyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]-2-methylpropanamide
CID 110133829
2-cyano-N-[(1R,2R)-2-ethylcyclopropyl]propanamide
CID 131131939
2-methyl-N-[(1R,2S)-2-propylcyclohexyl]propanamide
CID 95568853
2-(aminomethyl)-N-(2-methylcyclopropyl)pentanamide
CID 62397144
2-methyl-N-(2-methylthiolan-3-yl)propanamide
CID 130647611
2-(aminomethyl)-N-(2-methylcyclopropyl)butanamide
CID 62397142

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2-methylcyclohex-3-en-1-yl)-2-methylpropanamide?
The IUPAC name of N-(5-ethyl-2-methylcyclohex-3-en-1-yl)-2-methylpropanamide (CID 166041962) is N-(5-ethyl-2-methylcyclohex-3-en-1-yl)-2-methylpropanamide.
What is the SMILES notation for N-(5-ethyl-2-methylcyclohex-3-en-1-yl)-2-methylpropanamide?
The canonical SMILES for N-(5-ethyl-2-methylcyclohex-3-en-1-yl)-2-methylpropanamide is CCC1C=CC(C)C(NC(=O)C(C)C)C1.
What is the InChIKey of N-(5-ethyl-2-methylcyclohex-3-en-1-yl)-2-methylpropanamide?
The InChIKey is IQMUOIOSZGLOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-11-7-6-10(4)12(8-11)14-13(15)9(2)3/h6-7,9-12H,5,8H2,1-4H3,(H,14,15).
What are the key properties of N-(5-ethyl-2-methylcyclohex-3-en-1-yl)-2-methylpropanamide?
N-(5-ethyl-2-methylcyclohex-3-en-1-yl)-2-methylpropanamide 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-(5-ethyl-2-methylcyclohex-3-en-1-yl)-2-methylpropanamide is sourced from PubChem (CID 166041962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).