N-(2-ethyl-5-methylcyclohexyl)prop-2-enamide

C12H21NO — CID 89206562

IUPACN-(2-ethyl-5-methylcyclohexyl)prop-2-enamide
SMILESC=CC(=O)NC1CC(C)CCC1CC
InChIInChI=1S/C12H21NO/c1-4-10-7-6-9(3)8-11(10)13-12(14)5-2/h5,9-11H,2,4,6-8H2,1,3H3,(H,13,14)
InChIKeyIETYFVUNRBLXJA-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.50
Rot. Bonds3

About N-(2-ethyl-5-methylcyclohexyl)prop-2-enamide

N-(2-ethyl-5-methylcyclohexyl)prop-2-enamide (PubChem CID 89206562) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(2-ethyl-5-methylcyclohexyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-ethyl-5-methylcyclohexyl)prop-2-enamide
PubChem CID89206562
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(2-ethyl-5-methylcyclohexyl)prop-2-enamide
SMILESC=CC(=O)NC1CC(C)CCC1CC
InChIInChI=1S/C12H21NO/c1-4-10-7-6-9(3)8-11(10)13-12(14)5-2/h5,9-11H,2,4,6-8H2,1,3H3,(H,13,14)
InChIKeyIETYFVUNRBLXJA-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5-methylcyclohexyl)prop-2-enamide?
The IUPAC name of N-(2-ethyl-5-methylcyclohexyl)prop-2-enamide (CID 89206562) is N-(2-ethyl-5-methylcyclohexyl)prop-2-enamide.
What is the SMILES notation for N-(2-ethyl-5-methylcyclohexyl)prop-2-enamide?
The canonical SMILES for N-(2-ethyl-5-methylcyclohexyl)prop-2-enamide is C=CC(=O)NC1CC(C)CCC1CC.
What is the InChIKey of N-(2-ethyl-5-methylcyclohexyl)prop-2-enamide?
The InChIKey is IETYFVUNRBLXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-10-7-6-9(3)8-11(10)13-12(14)5-2/h5,9-11H,2,4,6-8H2,1,3H3,(H,13,14).
What are the key properties of N-(2-ethyl-5-methylcyclohexyl)prop-2-enamide?
N-(2-ethyl-5-methylcyclohexyl)prop-2-enamide has a molecular weight of 195.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5-methylcyclohexyl)prop-2-enamide is sourced from PubChem (CID 89206562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).